[(1S)-1-[(1S,2S)-1-cyclopropyl-2-oxidanyl-cyclohexyl]ethyl] 4-chloranylbenzoate

Systemtic Name: [(1S)-1-[(1S,2S)-1-cyclopropyl-2-oxidanyl-cyclohexyl]ethyl] 4-chloranylbenzoate Openeye Name: [(1S)-1-[(1S,2S)-1-cyclopropyl-2-hydroxy-cyclohexyl]ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(1S)-1-[(1S,2S)-1-cyclopropyl-2-hydroxycyclohexyl]ethyl] ester IUPAC Name: [(1S)-1-[(1S,2S)-1-cyclopropyl-2-hydroxycyclohexyl]ethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1S)-1-[(1S,2S)-1-cyclopropyl-2-hydroxy-cyclohexyl]ethyl] ester Formula: C18H23ClO3 MolecularWeight: 322.82642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCCCC1O)C2CC2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H]([C@@]1(CCCC[C@@H]1O)C2CC2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClO3/c1-12(22-17(21)13-5-9-15(19)10-6-13)18(14-7-8-14)11-3-2-4-16(18)20/h5-6,9-10,12,14,16,20H,2-4,7-8,11H2,1H3/t12-,16-,18-/m0/s1