methyl 3-[(2E,4E)-1-(3-oxidanylidene-1H-2-benzofuran-1-yl)tetradeca-2,4-dienyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(2E,4E)-1-(3-oxidanylidene-1H-2-benzofuran-1-yl)tetradeca-2,4-dienyl]sulfanylpropanoate Openeye Name: methyl 3-[(2E,4E)-1-(3-oxo-1H-isobenzofuran-1-yl)tetradeca-2,4-dienyl]sulfanylpropanoate CAS Name: 3-[[(2E,4E)-1-(3-oxo-1H-isobenzofuran-1-yl)tetradeca-2,4-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2E,4E)-1-(3-oxo-1H-2-benzofuran-1-yl)tetradeca-2,4-dienyl]sulfanylpropanoate Traditional Name: 3-[[(2E,4E)-1-phthalidyltetradeca-2,4-dienyl]thio]propionic acid methyl ester Formula: C26H36O4S MolecularWeight: 444.62664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(C1C2=CC=CC=C2C(=O)O1)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(C1C2=CC=CC=C2C(=O)O1)SCCC(=O)OC

InChI

InChI=1S/C26H36O4S/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(31-20-19-24(27)29-2)25-21-16-14-15-17-22(21)26(28)30-25/h11-18,23,25H,3-10,19-20H2,1-2H3/b12-11+,18-13+