2-methyl-6-[(1R,3S)-3-oxidanylcyclohexyl]carbonyl-benzoate

Systemtic Name: 2-methyl-6-[(1R,3S)-3-oxidanylcyclohexyl]carbonyl-benzoate Openeye Name: 2-[(1R,3S)-3-hydroxycyclohexanecarbonyl]-6-methyl-benzoate CAS Name: 2-[[(1R,3S)-3-hydroxycyclohexyl]-oxomethyl]-6-methylbenzoate IUPAC Name: 2-[(1R,3S)-3-hydroxycyclohexanecarbonyl]-6-methylbenzoate Traditional Name: 2-[(1R,3S)-3-hydroxycyclohexanecarbonyl]-6-methyl-benzoate Formula: C15H17O4- MolecularWeight: 261.29308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C(=O)[O-])C(=O)C2CCCC(C2)O

Isomeric SMILES

CC1=CC=CC(=C1C(=O)[O-])C(=O)[C@@H]2CCC[C@@H](C2)O

InChI

InChI=1S/C15H18O4/c1-9-4-2-7-12(13(9)15(18)19)14(17)10-5-3-6-11(16)8-10/h2,4,7,10-11,16H,3,5-6,8H2,1H3,(H,18,19)/p-1/t10-,11+/m1/s1