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Reference substances

Reference substances

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General information

Inventory

EC number:
219-949-9
EC name:
2-(3-(4-amino-9,10-dihydro-3-sulpho-9,10-dioxoanthracen-4-yl)aminobenzenesulphonyl)vinyl) disodium sulphate
CAS number:
2580-78-1

No inventory information available

Reference substance information

IUPAC name:
disodium 1-amino-9,10-dioxo-4-({3-[2-(sulfonatooxy)ethanesulfonyl]phenyl}amino)-9,10-dihydroanthracene-2-sulfonate
Synonyms
Names:
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10- dioxo-4-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino ]-, disodium salt
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-, disodium salt
Identifier:
CAS number
2580-78-1
Identifier:
IUPAC name
2-(3-((4-Amino-9,10-dihydro-3-sulpho-9,10-dioxoanthracen-4-yl)amino)benzenesulphonyl)vinyl disodium sulphate
Identifier:
IUPAC name
Disodium 1-amino-9,10-dioxo-4-((3-((2-(sulphonatooxy)ethyl)sulfonyl)phenyl)amino)-9,10-dihydroanthracene-2-sulfonate
Identifier:
IUPAC name
disodium 1-amino-9,10-dioxo-4-({3-[2-(sulfonatooxy)ethanesulfonyl]phenyl}amino)-9,10-dihydroanthracene-2-sulfonate
Identifier:
IUPAC name
disodium 1-amino-9,10-dioxo-4-{3-[2-(sulfonatooxy)ethanesulfonyl]anilino}-9,10-dihydroanthracene-2-sulfonate
Identifier:
IUPAC name
sodium 2-((3-((4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino)phenyl)sulfonyl)ethyl sulfate
Identifier:
common name
C.I.Reactive Blue 19
Identifier:
other: InChl
1S/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
Identifier:
other: SMILES notation
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]
Identifier:
other: Molecular formula
C22H16N2Na2O11S3
Identifier:
other: Molecular formula
C22H16N2Na2O11S3
Identifier:
other: Molecular formula
C22H16N2O11S3.2Na
Identifier:
other: Molecular formula
C22H18N2O11S3.2Na
Identifier:
other: InChl
InChI=1/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
Identifier:
other: InChl
InChI=1S/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
Identifier:
other: SMILES notation
[Na+].[Na+].NC1=C(C=C(NC2=CC=CC(=C2)S(=O)(=O)CCOS([O-])(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S([O-])(=O)=O
Identifier:
other: SMILES notation
[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)CCOS(=O)(=O)[O-])cc1S(=O)(=O)[O-]
Identifier:
other: SMILES notation
[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O
Identifier:
other: SMILES notation
c12c(C(c3ccccc3C2=O)=O)c(c(S(=O)(=O)[O-])cc1Nc1cc(ccc1)S(CCOS(=O)(=O)[O-])(=O)=O)N.[Na+].[Na+]
disodium 1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate

CAS information

CAS number:
2580-78-1

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Molecular and structural information

Molecular formula:
C22H18N2O11S3.2Na
C22H18N2Na2O11S3
Molecular weight:
ca. 626.6
SMILES notation:
[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)CCOS(=O)(=O)[O-])cc1S(=O)(=O)[O-]
InChl:
InChI=1/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
Structural formula:
Chemical structure