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

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 4-chloranylbenzoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-6-hexyl-4-oxochromen-7-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C28H24Cl2O4 MolecularWeight: 495.39376

Click to see the large picture

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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H24Cl2O4/c1-2-3-4-5-6-20-15-23-26(16-25(20)34-28(32)19-9-13-22(30)14-10-19)33-17-24(27(23)31)18-7-11-21(29)12-8-18/h7-17H,2-6H2,1H3