5-(4-methoxy-4-oxidanylidene-butyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid

Systemtic Name: 5-(4-methoxy-4-oxidanylidene-butyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid Openeye Name: 5-(4-methoxy-4-oxo-butyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid CAS Name: 5-(4-methoxy-4-oxobutyl)-5-bicyclo[2.2.1]hept-2-enecarboxylic acid IUPAC Name: 5-(4-methoxy-4-oxobutyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid Traditional Name: 5-(4-keto-4-methoxy-butyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1(CC2CC1C=C2)C(=O)O

Isomeric SMILES

COC(=O)CCCC1(CC2CC1C=C2)C(=O)O

InChI

InChI=1S/C13H18O4/c1-17-11(14)3-2-6-13(12(15)16)8-9-4-5-10(13)7-9/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)