Basic information
- CAS
13699-36-0- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)c4ccc(S(=O)(=O)O)cc34)c(O)c12- InChIKey
RXERRVKLABZRCU-UHFFFAOYSA-N- Molecular formula
- C28H21N5O14S4
- Average molar mass
- 779.8 g/mol
- Monoisotopic mass
- 778.99678505
Overview
N-{8-hydroxy-4,6-disulfO-7-[(e)-2-{7-sulfO-4-[(e)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalen-1-yl}ethanimidic acid is a naphthalenesulfonic acid.
Names & identifiers
- Preferred name
- Brilliant Black
- IUPAC
- 4-acetamido-5-hydroxy-6-[[7-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonic acid
Names & synonyms
Brilliant Black13699-36-04-acetamido-5-hydroxy-6-[[7-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonic acid4-acetamido-5-hydroxy-6-((7-sulfo-4-((4-sulfophenyl)diazenyl)naphthalen-1-yl)diazenyl)naphthalene-1,7-disulfonic acid4-Acetamido-5-hydroxy-6-({7-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl}diazenyl)naphthalene-1,7-disulfonic acidSCHEMBL4207305SCHEMBL4207310SCHEMBL4207318SCHEMBL6120387SCHEMBL8647387CHEMBL1897478SCHEMBL18775362
Show more names
SCHEMBL19805036DTXSID20859739CHEBI:184515E1514-(Acetylamino)-5-hydroxy-6-[[7-sulfo-4-[(4-sulfophenyl)azo]-1-naphthalenyl]azo]-1,7-naphthalenedisulfonic acid, 9CI4-(Acetylamino)-5-hydroxy-6-[2-[7-sulfo-4-[2-(4-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-1,7-naphthalenedisulfonic acid4-acetamido-5-hydroxy-6-((7-sulfo-4-((4-sulfophenyl)diazenyl)naphthalen-1-yl)diazenyl)naphthalene-1,7-disulfonicacid4-acetamido-5-hydroxy-6-[[7-sulo-4-[(4-sulophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulonic acid
Database identifiers
- CAS
13699-36-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 350 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 9
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,780
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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