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

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [3-(4-chlorophenyl)-6-hexyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-6-hexyl-4-oxochromen-7-yl] benzoate Traditional Name: benzoic acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C28H25ClO4 MolecularWeight: 460.9487

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClO4/c1-2-3-4-6-11-21-16-23-26(17-25(21)33-28(31)20-9-7-5-8-10-20)32-18-24(27(23)30)19-12-14-22(29)15-13-19/h5,7-10,12-18H,2-4,6,11H2,1H3