(7-methoxy-2,5,5-trimethyl-3-oxidanylidene-cyclohepten-1-yl) ethanoate

Systemtic Name: (7-methoxy-2,5,5-trimethyl-3-oxidanylidene-cyclohepten-1-yl) ethanoate Openeye Name: (7-methoxy-2,5,5-trimethyl-3-oxo-cyclohepten-1-yl) acetate CAS Name: acetic acid (7-methoxy-2,5,5-trimethyl-3-oxo-1-cycloheptenyl) ester IUPAC Name: (7-methoxy-2,5,5-trimethyl-3-oxocyclohepten-1-yl) acetate Traditional Name: acetic acid (3-keto-7-methoxy-2,5,5-trimethyl-cyclohepten-1-yl) ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(CC1=O)(C)C)OC)OC(=O)C

Isomeric SMILES

CC1=C(C(CC(CC1=O)(C)C)OC)OC(=O)C

InChI

InChI=1S/C13H20O4/c1-8-10(15)6-13(3,4)7-11(16-5)12(8)17-9(2)14/h11H,6-7H2,1-5H3