[3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 3,4,5-trimethoxybenzoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-6-hexyl-4-oxochromen-7-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C31H31ClO7 MolecularWeight: 551.02664

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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(=C(C(=C4)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H31ClO7/c1-5-6-7-8-9-20-14-23-26(38-18-24(29(23)33)19-10-12-22(32)13-11-19)17-25(20)39-31(34)21-15-27(35-2)30(37-4)28(16-21)36-3/h10-18H,5-9H2,1-4H3