5-[[4-[(2-chloranyl-5-sulfo-phenyl)diazenyl]naphthalen-1-yl]diazenyl]-8-phenylazanyl-naphthalene-1-sulfonic acid

Systemtic Name: 5-[[4-[(2-chloranyl-5-sulfo-phenyl)diazenyl]naphthalen-1-yl]diazenyl]-8-phenylazanyl-naphthalene-1-sulfonic acid Openeye Name: 8-anilino-5-[[4-(2-chloro-5-sulfo-phenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonic acid CAS Name: 8-anilino-5-[[4-(2-chloro-5-sulfophenyl)azo-1-naphthalenyl]azo]-1-naphthalenesulfonic acid IUPAC Name: 8-anilino-5-[[4-[(2-chloro-5-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 8-anilino-5-[[4-(2-chloro-5-sulfo-phenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonic acid Formula: C32H22ClN5O6S2 MolecularWeight: 672.12998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=C(C=CC(=C6)S(=O)(=O)O)Cl)C=CC=C3S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=C(C=CC(=C6)S(=O)(=O)O)Cl)C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C32H22ClN5O6S2/c33-25-14-13-21(45(39,40)41)19-30(25)38-36-27-16-15-26(22-9-4-5-10-23(22)27)35-37-28-17-18-29(34-20-7-2-1-3-8-20)32-24(28)11-6-12-31(32)46(42,43)44/h1-19,34H,(H,39,40,41)(H,42,43,44)