2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl] phenyl]azo]-8-[[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt

Reference substances

IUPAC name:

Tetrasodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate

Inventory

EC number:

219-746-5

EC name:

Tetrasodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate

CAS number:

2519-30-4

CAS number:

2519-30-4

Synonyms

Names:

Identifier:

IUPAC name

Tetra sodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate

Identifier:

IUPAC name

tetrasodium 4-acetamido-5-hydroxy-6-({7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1,7-disulfonate

Identifier:

Colour Index

CI 28440

Identifier:

common name

Brilliant Black 1

Identifier:

other: InChl

1/C28H21N5O14S4.4Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;;/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4

Identifier:

other: SMILES notation

[Na+].[Na+].[Na+].[Na+].CC(=O)Nc1ccc(c2cc(c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)[O-])c5ccc(cc35)S(=O)(=O)[O-])c(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]

Molecular and structural information

Molecular formula:

C28H21N5O14S4.4Na

Molecular weight:

867.687

SMILES notation:

c12c(c(ccc1NC(C)=O)S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(c2O)\N=N\c1c2c(c(\N=N\c3ccc(S(=O)(=O)[O-])cc3)cc1)ccc(c2)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChl:

1S/C28H21N5O14S4.4Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;;/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4/b31-30+,33-32+;;;;

Structural formula: