2-[(4-phenylazanylphenyl)diazenyl]-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-[(4-phenylazanylphenyl)diazenyl]-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-(4-anilinophenyl)azo-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-(4-anilinophenyl)azo-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-[(4-anilinophenyl)diazenyl]-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-(4-anilinophenyl)azo-4-(2-sulfoxyethylsulfonyl)besylic acid Formula: C20H19N3O9S3 MolecularWeight: 541.57456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H19N3O9S3/c24-33(25,13-12-32-35(29,30)31)18-10-11-20(34(26,27)28)19(14-18)23-22-17-8-6-16(7-9-17)21-15-4-2-1-3-5-15/h1-11,14,21H,12-13H2,(H,26,27,28)(H,29,30,31)