Benzamin Red 5B
Basic information
- CAS
5905-22-6- Standard SMILES
Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(O)c(N=Nc5ccc(N=Nc6ccc(S(=O)(=O)O)cc6)cc5)c(S(=O)(=O)O)cc4c3)c2)cc1- InChIKey
OLMUVGULQUUYMK-UHFFFAOYSA-N- Molecular formula
- C36H27N7O9S2
- Average molar mass
- 765.8 g/mol
- Monoisotopic mass
- 765.13116781
Overview
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Names & identifiers
- Preferred name
- Benzamin Red 5B
- IUPAC
- 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
Benzamin Red 5BC.I. Direct Red 152NSC47767C.I. 283605905-22-67FV872ZS7WCHEMBL10924372-Naphthalenesulfonic acid, 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-2-Naphthalenesulfonic acid, 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-7-({3-[(4-Aminobenzoyl)amino]benzoyl}amino)-4-hydroxy-3-((E)-{4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[(E)-[4-[(E)-(4-sulfophenyl)azo]phenyl]azo]naphthalene-2-sulfonic acid7-[[3-[(4-Aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
Show more names
756412-50-7
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 279 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,560
Related reactions
0 records
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Compound notes
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