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Reference substances

Reference substances

Currently viewing:
IUPAC name:
disodium 4-amino-3-[2-(4-{4-[2-(2,4-diaminophenyl)diazen-1-yl]benzenesulfonamido}phenyl)diazen-1-yl]-5-hydroxy-6-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate

Inventory

CAS number:
157577-99-6
Synonyms
Names:
2,7-Naphthalenedisulfonic acid, 4-amino-3-((4-(((4-((2,4-diaminophenyl)azo)phenyl)sulfonyl)amino)phenyl)azo)-5-hydroxy-6-(phenylazo)-, disodium salt
2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-(((4-(2-(2,4-diaminophenyl)diazenyl)phenyl)sulfonyl)amino)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2)
Black NB;C.I. 30027;Acid Black BA;Acid Black 234;Acid Black NBG;Acid Black NB-G;Dynacid Black 2N;Lecotan Black GW;Kemacid Black NBG;C.I.Acid Black 234
Identifier:
EC number
605-104-5
Identifier:
IUPAC name
2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]sulfonyl]amino]phenyl]diazenyl]-5-hydroxy-6-(2- phenyldiazenyl)-, sodium salt (1:2)
Identifier:
IUPAC name
2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]sulfonyl]amino]phenyl]diazenyl]-5-hydroxy-6-(2- phenyldiazenyl)-, sodium salt (1:2)
Identifier:
IUPAC name
2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]sulfonyl]amino]phenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2)
Identifier:
IUPAC name
Disodium 4-Amino-3-{4-[4-(2,4-diamino-phenylazo)-benzenesulfonylamino]-phenylazo}-5-hydroxy-6-phenylazo-naphthalene-2,7-disulfonate
Identifier:
IUPAC name
Disodium 4-amino-3-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]sulfonyl]amino]phenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-2,7-naphthalenedisulfonate
Identifier:
IUPAC name
Disodium 4-amino-3-[{4-[({4-[(2,4-diaminophenyl)diazenyl]phenyl}sulfonyl)amino]phenyl}diazenyl]-5-hydroxy-6-[phenyldiazenyl]naphthalene-2,7-disulfonate.
Identifier:
IUPAC name
disodium 4-amino-3-{4-[4-(2,4-diamino-phenylazo)-benzenesulfonylamino]-phenylazo}-5-hydroxy-6-phenylazo-naphthalene-2,7-disulfonate
Identifier:
IUPAC name
disodium; 4-Amino-3-{4-[4-(2,4-diamino-phenylazo)-benzenesulfonylamino]-phenylazo}-5-hydroxy-6-phenylazo-naphthalene-2,7-disulfonate
Identifier:
other: SMILES notation
C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
Identifier:
other: Molecular formula
C34H25N11Na2O11S3
Identifier:
other: Molecular formula
C34H26N10Na2O9S3
Identifier:
other: Molecular formula
C34H26N10O9S3Na2
Identifier:
other: Molecular formula
C34H28N10Na2O9S3
Identifier:
other: InChl
InChI=1/C34H30N10O9S3.2Na/c35-20-6-15-27(26(36)18-20)41-38-23-11-13-25(14-12-23)54(46,47)44-24-9-7-22(8-10-24)40-42-32-28(55(48,49)50)16-19-17-29(56(51,52)53)33(34(45)30(19)31(32)37)43-39-21-4-2-1-3-5-21;;/h1-18,44-47H,35-37H2,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-4/b41-38+,42-40+,43-39+;;
Identifier:
other: InChl
InChI=1S/C34H28N10O9S3.2Na/c35-20-6-15-27(26(36)18-20)41-38-23-11-13-25(14-12-23)54(46,47)44-24-9-7-22(8-10-24)40-42-32-28(55(48,49)50)16-19-17-29(56(51,52)53)33(34(45)30(19)31(32)37)43-39-21-4-2-1-3-5-21;;/h1-18,44-45H,35-37H2,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2
Identifier:
other: InChl
InChI=1S/C34H28N10O9S3.2Na/c35-20-6-15-27(26(36)18-20)41-38-23-11-13-25(14-12-23)54(46,47)44-24-9-7-22(8-10-24)40-42-32-28(55(48,49)50)16-19-17-29(56(51,52)53)33(34(45)30(19)31(32)37)43-39-21-4-2-1-3-5-21;;/h1-18,44-45H,35-37H2,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2/b41-38+,42-40+,43-39+;;
Identifier:
other: InChl
InChI=1S/C34H28N10O9S3.Na/c35-20-6-15-27(26(36)18-20)41-38-23-11-13-25(14-12-23)54(46,47)44-24-9-7-22(8-10-24)40-42-32-28(55(48,49)50)16-19-17-29(56(51,52)53)33(34(45)30(19)31(32)37)43-39-21-4-2-1-3-5-21;/h1-18,39,44H,35-37H2,(H,48,49,50)(H,51,52,53);/q;+1/p-2/b41-38?,42-40?,43-33+;
Identifier:
other: SMILES notation
NC1=C(C(=CC2=CC(=C(C(=C12)O)N=NC1=CC=CC=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC1=CC=C(C=C1)NS(=O)(=O)C1=CC=C(C=C1)N=NC1=C(C=C(C=C1)N)N.[Na+].[Na+]
Identifier:
other: SMILES notation
Nc6ccc(/N=N/c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)/N=N/c3c(N)c5c(cc3S(=O)(=O)O[Na])cc(c(/N=N/c4ccccc4)c5O)S(=O)(=O)O[Na])c(N)c6
Identifier:
other: SMILES notation
[Na+].[Na+].NC1=CC=C(\N=N\C2=CC=C(C=C2)S(=O)(=O)NC2=CC=C(C=C2)\N=N\C2=C(N)C3=C(C=C2S([O-])(=O)=O)C=C(C(\N=N\C2=CC=CC=C2)=C3O)S([O-])(=O)=O)C(N)=C1
Identifier:
other: SMILES notation
[Na+].[Na+].Nc6ccc(/N=N/c1ccc(cc1)S([O-])([O-])Nc2ccc(cc2)/N=N/c5c(cc4cc(c(/N=N/c3ccccc3)c(O)c4c5N)S([O-])(=O)=O)S([O-])(=O)=O)c(N)c6
Identifier:
other: SMILES notation
[Na+].[Na+].Nc6ccc(/N=N/c1ccc(cc1)S([O-])([O-])Nc2ccc(cc2)/N=N/c5c(cc4cc(c(/N=N/c3ccccc3)c(O)c4c5N)S([O-])(=O)=O)S([O-])(=O)=O)c(N)c6
Identifier:
other: SMILES notation
c1ccc(cc1)/N=N/c2c(cc3cc(c(c(c3c2O)N)/N=N/c4ccc(cc4)NS(=O)(=O)c5ccc(cc5)/N=N/c6ccc(cc6N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Disodium; 4-Amino-3-{4-[4-(2,4-diamino-phenylazo)-benzenesulfonylamino]-phenylazo}-5-hydroxy-6-phenylazo-naphthalene-2,7-disulfonate

Molecular and structural information

Molecular formula:
C34H26N10Na2O9S3
Molecular weight:
ca. 860.8
SMILES notation:
Nc6ccc(/N=N/c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)/N=N/c3c(N)c5c(cc3S(=O)(=O)O[Na])cc(c(/N=N/c4ccccc4)c5O)S(=O)(=O)O[Na])c(N)c6
InChl:
InChI=1S/C34H28N10O9S3.Na/c35-20-6-15-27(26(36)18-20)41-38-23-11-13-25(14-12-23)54(46,47)44-24-9-7-22(8-10-24)40-42-32-28(55(48,49)50)16-19-17-29(56(51,52)53)33(34(45)30(19)31(32)37)43-39-21-4-2-1-3-5-21;/h1-18,44-45H,35-37H2,(H,48,49,50)(H,51,52,53);/q;+1/p-2/b41-38+,42-40+,43-39+
Structural formula:
Chemical structure

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