2-[6-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)-3,4-dihydroxanthen-9-yl]benzenesulfonate

Systemtic Name: 2-[6-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)-3,4-dihydroxanthen-9-yl]benzenesulfonate Openeye Name: 2-(6-indolin-1-ium-1-ylidene-3-indolin-1-yl-3,4-dihydroxanthen-9-yl)benzenesulfonate CAS Name: 2-[6-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)-3,4-dihydroxanthen-9-yl]benzenesulfonate IUPAC Name: 2-[6-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)-3,4-dihydroxanthen-9-yl]benzenesulfonate Traditional Name: 2-(6-indolin-1-ium-1-ylidene-3-indolin-1-yl-3,4-dihydroxanthen-9-yl)besylate Formula: C35H28N2O4S MolecularWeight: 572.67282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3CC4=C(C=C3)C(=C5C=CC(=[N+]6CCC7=CC=CC=C76)C=C5O4)C8=CC=CC=C8S(=O)(=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3CC4=C(C=C3)C(=C5C=CC(=[N+]6CCC7=CC=CC=C76)C=C5O4)C8=CC=CC=C8S(=O)(=O)[O-]

InChI

InChI=1S/C35H28N2O4S/c38-42(39,40)34-12-6-3-9-29(34)35-27-15-13-25(36-19-17-23-7-1-4-10-30(23)36)21-32(27)41-33-22-26(14-16-28(33)35)37-20-18-24-8-2-5-11-31(24)37/h1-16,21,26H,17-20,22H2