8-phenylazanyl-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid; sodium

Systemtic Name: 8-phenylazanyl-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid; sodium Openeye Name: 8-anilino-5-[[4-(3-sulfophenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonic acid; sodium CAS Name: 8-anilino-5-[[4-(3-sulfophenyl)azo-1-naphthalenyl]azo]-1-naphthalenesulfonic acid; sodium IUPAC Name: 8-anilino-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid; sodium Traditional Name: 8-anilino-5-[[4-(3-sulfophenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonic acid; sodium Formula: C32H23N5NaO6S2 MolecularWeight: 660.67469

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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=CC(=CC=C6)S(=O)(=O)O)C=CC=C3S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)O)C=CC=C3S(=O)(=O)O.[Na]

InChI

InChI=1S/C32H23N5O6S2.Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;/h1-20,33H,(H,38,39,40)(H,41,42,43);