(1S,2S)-2-[(S)-oxidanyl-(4-propan-2-yloxyphenyl)methyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(S)-oxidanyl-(4-propan-2-yloxyphenyl)methyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(S)-hydroxy-(4-isopropoxyphenyl)methyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(S)-hydroxy-(4-propan-2-yloxyphenyl)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(S)-hydroxy-(4-propan-2-yloxyphenyl)methyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(S)-hydroxy-(4-isopropoxyphenyl)methyl]cyclohexanecarboxylate Formula: C17H23O4- MolecularWeight: 291.36212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C2CCCCC2C(=O)[O-])O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H]([C@H]2CCCC[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C17H24O4/c1-11(2)21-13-9-7-12(8-10-13)16(18)14-5-3-4-6-15(14)17(19)20/h7-11,14-16,18H,3-6H2,1-2H3,(H,19,20)/p-1/t14-,15-,16+/m0/s1