2-[3-(2,3-dihydroindol-1-ium-1-ylidene)-6-(2,3-dihydroindol-1-yl)xanthen-9-yl]benzenesulfonic acid

Systemtic Name: 2-[3-(2,3-dihydroindol-1-ium-1-ylidene)-6-(2,3-dihydroindol-1-yl)xanthen-9-yl]benzenesulfonic acid Openeye Name: 2-(3-indolin-1-ium-1-ylidene-6-indolin-1-yl-xanthen-9-yl)benzenesulfonic acid CAS Name: 2-[3-(2,3-dihydroindol-1-ium-1-ylidene)-6-(2,3-dihydroindol-1-yl)-9-xanthenyl]benzenesulfonic acid IUPAC Name: 2-[3-(2,3-dihydroindol-1-ium-1-ylidene)-6-(2,3-dihydroindol-1-yl)xanthen-9-yl]benzenesulfonic acid Traditional Name: 2-(3-indolin-1-ium-1-ylidene-6-indolin-1-yl-xanthen-9-yl)besylic acid Formula: C35H27N2O4S+ MolecularWeight: 571.66488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=CC4=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)C3=CC4=C(C=C3)C(=C5C=CC(=[N+]6CCC7=CC=CC=C76)C=C5O4)C8=CC=CC=C8S(=O)(=O)O

InChI

InChI=1S/C35H26N2O4S/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/h1-16,21-22H,17-20H2/p+1