3-[2-(4-octylphenyl)ethyl]-2-oxidanylidene-oxolane-3-carboxylic acid

Systemtic Name: 3-[2-(4-octylphenyl)ethyl]-2-oxidanylidene-oxolane-3-carboxylic acid Openeye Name: 3-[2-(4-octylphenyl)ethyl]-2-oxo-tetrahydrofuran-3-carboxylic acid CAS Name: 3-[2-(4-octylphenyl)ethyl]-2-oxo-3-oxolanecarboxylic acid IUPAC Name: 3-[2-(4-octylphenyl)ethyl]-2-oxooxolane-3-carboxylic acid Traditional Name: 2-keto-3-[2-(4-octylphenyl)ethyl]tetrahydrofuran-3-carboxylic acid Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC2(CCOC2=O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC2(CCOC2=O)C(=O)O

InChI

InChI=1S/C21H30O4/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-21(19(22)23)15-16-25-20(21)24/h9-12H,2-8,13-16H2,1H3,(H,22,23)