hexyl 7-(2,6-dimethoxyphenyl)-7-oxidanylidene-heptanoate

Systemtic Name: hexyl 7-(2,6-dimethoxyphenyl)-7-oxidanylidene-heptanoate Openeye Name: hexyl 7-(2,6-dimethoxyphenyl)-7-oxo-heptanoate CAS Name: 7-(2,6-dimethoxyphenyl)-7-oxoheptanoic acid hexyl ester IUPAC Name: hexyl 7-(2,6-dimethoxyphenyl)-7-oxoheptanoate Traditional Name: 7-(2,6-dimethoxyphenyl)-7-keto-enanthic acid hexyl ester Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCCCC(=O)C1=C(C=CC=C1OC)OC

Isomeric SMILES

CCCCCCOC(=O)CCCCCC(=O)C1=C(C=CC=C1OC)OC

InChI

InChI=1S/C21H32O5/c1-4-5-6-10-16-26-20(23)15-9-7-8-12-17(22)21-18(24-2)13-11-14-19(21)25-3/h11,13-14H,4-10,12,15-16H2,1-3H3