(1S,6R)-3,4-dimethyl-6-(phenylcarbonyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-3,4-dimethyl-6-(phenylcarbonyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-benzoyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-benzoyl-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-benzoyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C16H17O3- MolecularWeight: 257.30438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)C2=CC=CC=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)C2=CC=CC=C2)C(=O)[O-])C

InChI

InChI=1S/C16H18O3/c1-10-8-13(14(16(18)19)9-11(10)2)15(17)12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H,18,19)/p-1/t13-,14+/m1/s1