7-((E)-(4-((E)-(4-((4-(Benzoylamino)benzoyl)amino)-7-sulfo-1-naphthyl)diazenyl)-2-methylphenyl)diazenyl)-4-hydroxynaphthalene-2-sulfonic acid

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Basic information

CAS: 7401-38-9
Standard SMILES: Cc1cc(N=Nc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c3ccc(S(=O)(=O)O)cc23)ccc1N=Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1
InChIKey: GVSVWYKBBAIBAQ-UHFFFAOYSA-N
Molecular formula: C41H30N6O9S2
Average molar mass: 814.8 g/mol
Monoisotopic mass: 814.1515689

Names & identifiers

Preferred name: 7-((E)-(4-((E)-(4-((4-(Benzoylamino)benzoyl)amino)-7-sulfo-1-naphthyl)diazenyl)-2-methylphenyl)diazenyl)-4-hydroxynaphthalene-2-sulfonic acid
IUPAC: 7-[[4-[[4-[(4-benzamidobenzoyl)amino]-7-sulfonaphthalen-1-yl]diazenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid

Names & synonyms

NSC 587837401-38-9NSC587837-((E)-(4-((E)-(4-((4-(Benzoylamino)benzoyl)amino)-7-sulfo-1-naphthyl)diazenyl)-2-methylphenyl)diazenyl)-4-hydroxynaphthalene-2-sulfonic acid7-((E)-{4-[(E)-(4-{[4-(Benzoylamino)benzoyl]amino}-7-sulfo-1-naphthyl)diazenyl]-2-methylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acidJAK9RD6TNC2-Naphthalenesulfonic acid, 5'-(p-benzamidobenzamido)-4-hydroxy-7,8'-[(methyl-p-phenylene)diazo]di-2-Naphthalenesulfonic acid, 7-[2-[4-[2-[4-[[4-(benzoylamino)benzoyl]amino]-7-sulfo-1-naphthalenyl]diazenyl]-2-methylphenyl]diazenyl]-4-hydroxy-7-[(E)-[4-[(E)-[4-[(4-benzamidobenzoyl)amino]-7-sulfo-1-naphthyl]azo]-2-methyl-phenyl]azo]-4-hydroxy-naphthalene-2-sulfonic acid7-[2-[4-[2-[4-[[4-(Benzoylamino)benzoyl]amino]-7-sulfo-1-naphthalenyl]diazenyl]-2-methylphenyl]diazenyl]-4-hydroxy-2-naphthalenesulfonic acid802840-74-0

Database identifiers

CAS: 7401-38-9、802840-74-0
PubChem CID: 414429
UNII: JAK9RD6TNC

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 253 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 13
Rotatable bonds: 10
Heavy atoms: 58
Formal charge: 0
Complexity: 1,710

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Compound notes

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