(8E)-8-[5-(hydroxymethyl)-2-oxidanylidene-5-(phenylmethoxymethyl)oxolan-3-ylidene]octanoic acid

Systemtic Name: (8E)-8-[5-(hydroxymethyl)-2-oxidanylidene-5-(phenylmethoxymethyl)oxolan-3-ylidene]octanoic acid Openeye Name: (8E)-8-[5-(benzyloxymethyl)-5-(hydroxymethyl)-2-oxo-tetrahydrofuran-3-ylidene]octanoic acid CAS Name: (8E)-8-[5-(hydroxymethyl)-2-oxo-5-(phenylmethoxymethyl)-3-oxolanylidene]octanoic acid IUPAC Name: (8E)-8-[5-(hydroxymethyl)-2-oxo-5-(phenylmethoxymethyl)oxolan-3-ylidene]octanoic acid Traditional Name: (8E)-8-[5-(benzoxymethyl)-2-keto-5-methylol-tetrahydrofuran-3-ylidene]caprylic acid Formula: C21H28O6 MolecularWeight: 376.44342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CCCCCCCC(=O)O)C(=O)OC1(CO)COCC2=CC=CC=C2

Isomeric SMILES

C1/C(=C\CCCCCCC(=O)O)/C(=O)OC1(CO)COCC2=CC=CC=C2

InChI

InChI=1S/C21H28O6/c22-15-21(16-26-14-17-9-5-4-6-10-17)13-18(20(25)27-21)11-7-2-1-3-8-12-19(23)24/h4-6,9-11,22H,1-3,7-8,12-16H2,(H,23,24)/b18-11+