[(1S,2R)-2-cyclopropyl-2-[(1S)-1-oxidanylethyl]cyclohexyl] 4-chloranylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCCCC1OC(=O)C2=CC=C(C=C2)Cl)C3CC3)O

Isomeric SMILES

C[C@@H]([C@@]1(CCCC[C@@H]1OC(=O)C2=CC=C(C=C2)Cl)C3CC3)O

InChI

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