aluminum 3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate

Systemtic Name: aluminum 3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate Openeye Name: aluminum 3-(4-anilinophenyl)azobenzenesulfonate CAS Name: aluminum 3-(4-anilinophenyl)azobenzenesulfonate IUPAC Name: aluminum 3-[(4-anilinophenyl)diazenyl]benzenesulfonate Traditional Name: aluminum 3-(4-anilinophenyl)azobesylate Formula: C54H42AlN9O9S3 MolecularWeight: 1084.142718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Al+3]

InChI

InChI=1S/3C18H15N3O3S.Al/c3*22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h3*1-13,19H,(H,22,23,24);/q;;;+3/p-3