[6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] cyclohexanecarboxylate

Systemtic Name: [6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] cyclohexanecarboxylate Openeye Name: [6-chloro-4-oxo-2-(p-tolyl)chromen-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [6-chloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(4-methylphenyl)-4-oxochromen-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [6-chloro-4-keto-2-(p-tolyl)chromen-3-yl] ester Formula: C23H21ClO4 MolecularWeight: 396.86344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4CCCCC4

InChI

InChI=1S/C23H21ClO4/c1-14-7-9-15(10-8-14)21-22(28-23(26)16-5-3-2-4-6-16)20(25)18-13-17(24)11-12-19(18)27-21/h7-13,16H,2-6H2,1H3