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

Systemtic Name: (1S,6R)-6-(4-bromophenyl)carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(4-bromobenzoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(4-bromophenyl)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(4-bromobenzoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(4-bromobenzoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C16H16BrO3- MolecularWeight: 336.20044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrO3/c1-9-7-13(14(16(19)20)8-10(9)2)15(18)11-3-5-12(17)6-4-11/h3-6,13-14H,7-8H2,1-2H3,(H,19,20)/p-1/t13-,14+/m1/s1