(4,4,5,5,6,6-hexamethyl-3-oxidanylidene-cyclohexen-1-yl) 3-ethylbenzoate

Systemtic Name: (4,4,5,5,6,6-hexamethyl-3-oxidanylidene-cyclohexen-1-yl) 3-ethylbenzoate Openeye Name: (4,4,5,5,6,6-hexamethyl-3-oxo-cyclohexen-1-yl) 3-ethylbenzoate CAS Name: 3-ethylbenzoic acid (4,4,5,5,6,6-hexamethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (4,4,5,5,6,6-hexamethyl-3-oxocyclohexen-1-yl) 3-ethylbenzoate Traditional Name: 3-ethylbenzoic acid (3-keto-4,4,5,5,6,6-hexamethyl-cyclohexen-1-yl) ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=O)OC2=CC(=O)C(C(C2(C)C)(C)C)(C)C

Isomeric SMILES

CCC1=CC=CC(=C1)C(=O)OC2=CC(=O)C(C(C2(C)C)(C)C)(C)C

InChI

InChI=1S/C21H28O3/c1-8-14-10-9-11-15(12-14)18(23)24-17-13-16(22)19(2,3)21(6,7)20(17,4)5/h9-13H,8H2,1-7H3