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

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 2-ethylbutanoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic 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-ethylbutanoate Traditional Name: 2-ethylbutyric acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C27H31ClO4 MolecularWeight: 454.98564

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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(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClO4/c1-4-7-8-9-10-20-15-22-25(16-24(20)32-27(30)18(5-2)6-3)31-17-23(26(22)29)19-11-13-21(28)14-12-19/h11-18H,4-10H2,1-3H3