(1R,2R,4S)-2-(4-methylphenyl)carbonyl-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: (1R,2R,4S)-2-(4-methylphenyl)carbonyl-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: (1R,2R,4S)-4-hydroxy-2-(4-methylbenzoyl)cyclohexanecarboxylate CAS Name: (1R,2R,4S)-4-hydroxy-2-[(4-methylphenyl)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R,4S)-4-hydroxy-2-(4-methylbenzoyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R,4S)-4-hydroxy-2-p-toluoyl-cyclohexanecarboxylate Formula: C15H17O4- MolecularWeight: 261.29308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CC(CCC2C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@H]2C[C@H](CC[C@H]2C(=O)[O-])O

InChI

InChI=1S/C15H18O4/c1-9-2-4-10(5-3-9)14(17)13-8-11(16)6-7-12(13)15(18)19/h2-5,11-13,16H,6-8H2,1H3,(H,18,19)/p-1/t11-,12+,13+/m0/s1