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

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C32H33ClO4 MolecularWeight: 517.05502

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C32H33ClO4/c1-5-6-7-8-9-23-18-26-29(36-20-27(30(26)34)21-12-16-25(33)17-13-21)19-28(23)37-31(35)22-10-14-24(15-11-22)32(2,3)4/h10-20H,5-9H2,1-4H3