2-(3-phenylazaniumylidene-6-phenylazanyl-xanthen-9-yl)benzenesulfonate

Systemtic Name: 2-(3-phenylazaniumylidene-6-phenylazanyl-xanthen-9-yl)benzenesulfonate Openeye Name: 2-(3-anilino-6-phenyliminio-xanthen-9-yl)benzenesulfonate CAS Name: 2-(3-anilino-6-phenyliminio-9-xanthenyl)benzenesulfonate IUPAC Name: 2-(3-anilino-6-phenylazaniumylidenexanthen-9-yl)benzenesulfonate Traditional Name: 2-(3-anilino-6-phenyliminio-xanthen-9-yl)besylate Formula: C31H22N2O4S MolecularWeight: 518.58238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=[NH+]C5=CC=CC=C5)C=C4O3)C6=CC=CC=C6S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=[NH+]C5=CC=CC=C5)C=C4O3)C6=CC=CC=C6S(=O)(=O)[O-]

InChI

InChI=1S/C31H22N2O4S/c34-38(35,36)30-14-8-7-13-27(30)31-25-17-15-23(32-21-9-3-1-4-10-21)19-28(25)37-29-20-24(16-18-26(29)31)33-22-11-5-2-6-12-22/h1-20,32H,(H,34,35,36)