methyl (5R,6S)-5,6-dimethyl-6-[(E)-3-methyl-4-oxidanylidene-but-2-enyl]cyclohexene-1-carboxylate

Systemtic Name: methyl (5R,6S)-5,6-dimethyl-6-[(E)-3-methyl-4-oxidanylidene-but-2-enyl]cyclohexene-1-carboxylate Openeye Name: methyl (5R,6S)-5,6-dimethyl-6-[(E)-3-methyl-4-oxo-but-2-enyl]cyclohexene-1-carboxylate CAS Name: (5R,6S)-5,6-dimethyl-6-[(E)-3-methyl-4-oxobut-2-enyl]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (5R,6S)-5,6-dimethyl-6-[(E)-3-methyl-4-oxobut-2-enyl]cyclohexene-1-carboxylate Traditional Name: (5R,6S)-6-[(E)-4-keto-3-methyl-but-2-enyl]-5,6-dimethyl-cyclohexene-1-carboxylic acid methyl ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C(C1(C)CC=C(C)C=O)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC=C([C@@]1(C)C/C=C(\C)/C=O)C(=O)OC

InChI

InChI=1S/C15H22O3/c1-11(10-16)8-9-15(3)12(2)6-5-7-13(15)14(17)18-4/h7-8,10,12H,5-6,9H2,1-4H3/b11-8+/t12-,15+/m1/s1