[4-(4-heptoxyphenyl)-2-oxidanylidene-cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [4-(4-heptoxyphenyl)-2-oxidanylidene-cyclohex-3-en-1-yl] ethanoate Openeye Name: [4-(4-heptoxyphenyl)-2-oxo-cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [4-(4-heptoxyphenyl)-2-oxo-1-cyclohex-3-enyl] ester IUPAC Name: [4-(4-heptoxyphenyl)-2-oxocyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [4-(4-heptoxyphenyl)-2-keto-cyclohex-3-en-1-yl] ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC(=O)C(CC2)OC(=O)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC(=O)C(CC2)OC(=O)C

InChI

InChI=1S/C21H28O4/c1-3-4-5-6-7-14-24-19-11-8-17(9-12-19)18-10-13-21(20(23)15-18)25-16(2)22/h8-9,11-12,15,21H,3-7,10,13-14H2,1-2H3