2-[6-[cyclohexyl(methyl)azaniumylidene]-3-methyl-2-phenylazanyl-xanthen-9-yl]benzoate

Systemtic Name: 2-[6-[cyclohexyl(methyl)azaniumylidene]-3-methyl-2-phenylazanyl-xanthen-9-yl]benzoate Openeye Name: 2-[2-anilino-6-[cyclohexyl(methyl)iminio]-3-methyl-xanthen-9-yl]benzoate CAS Name: 2-[2-anilino-6-[cyclohexyl(methyl)iminio]-3-methyl-9-xanthenyl]benzoate IUPAC Name: 2-[2-anilino-6-[cyclohexyl(methyl)azaniumylidene]-3-methylxanthen-9-yl]benzoate Traditional Name: 2-[2-anilino-6-[cyclohexyl(methyl)iminio]-3-methyl-xanthen-9-yl]benzoate Formula: C34H32N2O3 MolecularWeight: 516.62948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC3=CC(=[N+](C)C4CCCCC4)C=CC3=C2C5=CC=CC=C5C(=O)[O-])NC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=C2C(=C1)OC3=CC(=[N+](C)C4CCCCC4)C=CC3=C2C5=CC=CC=C5C(=O)[O-])NC6=CC=CC=C6

InChI

InChI=1S/C34H32N2O3/c1-22-19-31-29(21-30(22)35-23-11-5-3-6-12-23)33(26-15-9-10-16-27(26)34(37)38)28-18-17-25(20-32(28)39-31)36(2)24-13-7-4-8-14-24/h3,5-6,9-12,15-21,24,35H,4,7-8,13-14H2,1-2H3