ethyl 2-[[3,6-bis(phenylazanyl)-9H-xanthen-9-yl]sulfanyl]benzoate

Systemtic Name: ethyl 2-[[3,6-bis(phenylazanyl)-9H-xanthen-9-yl]sulfanyl]benzoate Openeye Name: ethyl 2-[(3,6-dianilino-9H-xanthen-9-yl)sulfanyl]benzoate CAS Name: 2-[(3,6-dianilino-9H-xanthen-9-yl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(3,6-dianilino-9H-xanthen-9-yl)sulfanyl]benzoate Traditional Name: 2-[(3,6-dianilino-9H-xanthen-9-yl)thio]benzoic acid ethyl ester Formula: C34H28N2O3S MolecularWeight: 544.66272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SC2C3=C(C=C(C=C3)NC4=CC=CC=C4)OC5=C2C=CC(=C5)NC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SC2C3=C(C=C(C=C3)NC4=CC=CC=C4)OC5=C2C=CC(=C5)NC6=CC=CC=C6

InChI

InChI=1S/C34H28N2O3S/c1-2-38-34(37)29-15-9-10-16-32(29)40-33-27-19-17-25(35-23-11-5-3-6-12-23)21-30(27)39-31-22-26(18-20-28(31)33)36-24-13-7-4-8-14-24/h3-22,33,35-36H,2H2,1H3