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

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 2,4,6-trimethylbenzoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-6-hexyl-4-oxochromen-7-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C31H31ClO4 MolecularWeight: 503.02844

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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=C(C=C(C=C4C)C)C

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Cl)OC(=O)C4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C31H31ClO4/c1-5-6-7-8-9-23-16-25-28(35-18-26(30(25)33)22-10-12-24(32)13-11-22)17-27(23)36-31(34)29-20(3)14-19(2)15-21(29)4/h10-18H,5-9H2,1-4H3