(1S,2R,5S,6S)-6-ethoxycarbonyl-5-methyl-2-[(1S)-1-oxidanylpropyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,2R,5S,6S)-6-ethoxycarbonyl-5-methyl-2-[(1S)-1-oxidanylpropyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,2R,5S,6S)-6-ethoxycarbonyl-2-[(1S)-1-hydroxypropyl]-5-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,2R,5S,6S)-6-ethoxycarbonyl-2-[(1S)-1-hydroxypropyl]-5-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,2R,5S,6S)-6-ethoxycarbonyl-2-[(1S)-1-hydroxypropyl]-5-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,2R,5S,6S)-6-carbethoxy-2-[(1S)-1-hydroxypropyl]-5-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C14H22O5 MolecularWeight: 270.32148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C=CC(C(C1C(=O)O)C(=O)OCC)C)O

Isomeric SMILES

CC[C@@H]([C@@H]1C=C[C@@H]([C@@H]([C@H]1C(=O)O)C(=O)OCC)C)O

InChI

InChI=1S/C14H22O5/c1-4-10(15)9-7-6-8(3)11(12(9)13(16)17)14(18)19-5-2/h6-12,15H,4-5H2,1-3H3,(H,16,17)/t8-,9-,10-,11-,12-/m0/s1