[3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 3-methylbenzoate

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 3-methylbenzoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-6-hexyl-4-oxochromen-7-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C29H27ClO4 MolecularWeight: 474.97528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C29H27ClO4/c1-3-4-5-6-9-21-16-24-27(17-26(21)34-29(32)22-10-7-8-19(2)15-22)33-18-25(28(24)31)20-11-13-23(30)14-12-20/h7-8,10-18H,3-6,9H2,1-2H3