(1R,3S,4S)-4-methyl-3-phenyl-cyclohexane-1-carboxylate

Systemtic Name: (1R,3S,4S)-4-methyl-3-phenyl-cyclohexane-1-carboxylate Openeye Name: (1R,3S,4S)-4-methyl-3-phenyl-cyclohexanecarboxylate CAS Name: (1R,3S,4S)-4-methyl-3-phenyl-1-cyclohexanecarboxylate IUPAC Name: (1R,3S,4S)-4-methyl-3-phenylcyclohexane-1-carboxylate Traditional Name: (1R,3S,4S)-4-methyl-3-phenyl-cyclohexanecarboxylate Formula: C14H17O2- MolecularWeight: 217.28358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CC[C@H](C[C@@H]1C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H18O2/c1-10-7-8-12(14(15)16)9-13(10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,15,16)/p-1/t10-,12+,13-/m0/s1