2-azanyl-5-[(E)-1-(diphenylamino)-2-(2-nitro-4-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(E)-1-(diphenylamino)-2-(2-nitro-4-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-amino-5-[(E)-2-(2-nitro-4-sulfo-phenyl)-1-(N-phenylanilino)vinyl]benzenesulfonic acid CAS Name: 2-amino-5-[(E)-2-(2-nitro-4-sulfophenyl)-1-(N-phenylanilino)ethenyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[(E)-2-(2-nitro-4-sulfophenyl)-1-(N-phenylanilino)ethenyl]benzenesulfonic acid Traditional Name: 2-amino-5-[(E)-2-(2-nitro-4-sulfo-phenyl)-1-(N-phenylanilino)vinyl]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)C(=CC3=C(C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-])C4=CC(=C(C=C4)N)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O8S2/c27-23-14-12-19(16-26(23)39(35,36)37)24(15-18-11-13-22(38(32,33)34)17-25(18)29(30)31)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)/b24-15+