[3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 2-methylpropanoate

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 2-methylpropanoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3-(4-chlorophenyl)-6-hexyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-6-hexyl-4-oxochromen-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C25H27ClO4 MolecularWeight: 426.93248

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClO4/c1-4-5-6-7-8-18-13-20-23(14-22(18)30-25(28)16(2)3)29-15-21(24(20)27)17-9-11-19(26)12-10-17/h9-16H,4-8H2,1-3H3