6-azanyl-2-(diphenylamino)-3-[(E)-2-(2-nitro-4-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 6-azanyl-2-(diphenylamino)-3-[(E)-2-(2-nitro-4-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 6-amino-3-[(E)-2-(2-nitro-4-sulfo-phenyl)vinyl]-2-(N-phenylanilino)benzenesulfonic acid CAS Name: 6-amino-3-[(E)-2-(2-nitro-4-sulfophenyl)ethenyl]-2-(N-phenylanilino)benzenesulfonic acid IUPAC Name: 6-amino-3-[(E)-2-(2-nitro-4-sulfophenyl)ethenyl]-2-(N-phenylanilino)benzenesulfonic acid Traditional Name: 6-amino-3-[(E)-2-(2-nitro-4-sulfo-phenyl)vinyl]-2-(N-phenylanilino)besylic acid Formula: C26H21N3O8S2 MolecularWeight: 567.59024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C=CC(=C3S(=O)(=O)O)N)C=CC4=C(C=C(C=C4)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C=CC(=C3S(=O)(=O)O)N)/C=C/C4=C(C=C(C=C4)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O8S2/c27-23-16-14-19(12-11-18-13-15-22(38(32,33)34)17-24(18)29(30)31)25(26(23)39(35,36)37)28(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17H,27H2,(H,32,33,34)(H,35,36,37)/b12-11+