2-(7-oxidanylideneoxepan-2-yl)cyclohexene-1-carboxylic acid

Systemtic Name: 2-(7-oxidanylideneoxepan-2-yl)cyclohexene-1-carboxylic acid Openeye Name: 2-(7-oxooxepan-2-yl)cyclohexene-1-carboxylic acid CAS Name: 2-(7-oxo-2-oxepanyl)-1-cyclohexenecarboxylic acid IUPAC Name: 2-(7-oxooxepan-2-yl)cyclohexene-1-carboxylic acid Traditional Name: 2-(7-ketooxepan-2-yl)cyclohexene-1-carboxylic acid Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)OC(C1)C2=C(CCCC2)C(=O)O

Isomeric SMILES

C1CCC(=O)OC(C1)C2=C(CCCC2)C(=O)O

InChI

InChI=1S/C13H18O4/c14-12-8-4-3-7-11(17-12)9-5-1-2-6-10(9)13(15)16/h11H,1-8H2,(H,15,16)