ethyl 2-[3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl]oxypropanoate

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl]oxypropanoate Openeye Name: ethyl 2-[3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl]oxypropanoate CAS Name: 2-[[3-(4-chlorophenyl)-6-hexyl-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)-6-hexyl-4-oxochromen-7-yl]oxypropanoate Traditional Name: 2-[3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl]oxypropionic acid ethyl ester Formula: C26H29ClO5 MolecularWeight: 456.95846

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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(C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClO5/c1-4-6-7-8-9-19-14-21-24(15-23(19)32-17(3)26(29)30-5-2)31-16-22(25(21)28)18-10-12-20(27)13-11-18/h10-17H,4-9H2,1-3H3