(1S,6S)-6-butoxycarbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-butoxycarbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-butoxycarbonylcyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[butoxy(oxo)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-butoxycarbonylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-butoxycarbonylcyclohex-3-ene-1-carboxylic acid Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CC=CCC1C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-5,9-10H,2-3,6-8H2,1H3,(H,13,14)/t9-,10-/m0/s1