2-[(6E)-3-phenylazanyl-6-(phenylmethylidene)xanthen-9-yl]benzenesulfonic acid

Systemtic Name: 2-[(6E)-3-phenylazanyl-6-(phenylmethylidene)xanthen-9-yl]benzenesulfonic acid Openeye Name: 2-[(6E)-3-anilino-6-benzylidene-xanthen-9-yl]benzenesulfonic acid CAS Name: 2-[(6E)-3-anilino-6-(phenylmethylene)-9-xanthenyl]benzenesulfonic acid IUPAC Name: 2-[(6E)-3-anilino-6-benzylidenexanthen-9-yl]benzenesulfonic acid Traditional Name: 2-[(6E)-3-anilino-6-benzal-xanthen-9-yl]besylic acid Formula: C32H23NO4S MolecularWeight: 517.59432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C=CC3=C(C4=C(C=C(C=C4)NC5=CC=CC=C5)OC3=C2)C6=CC=CC=C6S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\C=CC3=C(C4=C(C=C(C=C4)NC5=CC=CC=C5)OC3=C2)C6=CC=CC=C6S(=O)(=O)O

InChI

InChI=1S/C32H23NO4S/c34-38(35,36)31-14-8-7-13-28(31)32-26-17-15-23(19-22-9-3-1-4-10-22)20-29(26)37-30-21-25(16-18-27(30)32)33-24-11-5-2-6-12-24/h1-21,33H,(H,34,35,36)/b23-19+