[(1S,2S)-2-oxidanylcycloheptyl] benzoate

Systemtic Name: [(1S,2S)-2-oxidanylcycloheptyl] benzoate Openeye Name: [(1S,2S)-2-hydroxycycloheptyl] benzoate CAS Name: benzoic acid [(1S,2S)-2-hydroxycycloheptyl] ester IUPAC Name: [(1S,2S)-2-hydroxycycloheptyl] benzoate Traditional Name: benzoic acid [(1S,2S)-2-hydroxycycloheptyl] ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C1CC[C@@H]([C@H](CC1)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H18O3/c15-12-9-5-2-6-10-13(12)17-14(16)11-7-3-1-4-8-11/h1,3-4,7-8,12-13,15H,2,5-6,9-10H2/t12-,13-/m0/s1