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

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(4-chlorophenyl)-6-hexyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-6-hexyl-4-oxochromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C26H29ClO4 MolecularWeight: 440.95906

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClO4/c1-5-6-7-8-9-18-14-20-23(15-22(18)31-25(29)26(2,3)4)30-16-21(24(20)28)17-10-12-19(27)13-11-17/h10-16H,5-9H2,1-4H3