methyl 6-oxidanylidene-7-(phenylsulfinyl)heptanoate

Systemtic Name: methyl 6-oxidanylidene-7-(phenylsulfinyl)heptanoate Openeye Name: methyl 7-(benzenesulfinyl)-6-oxo-heptanoate CAS Name: 7-(benzenesulfinyl)-6-oxoheptanoic acid methyl ester IUPAC Name: methyl 7-(benzenesulfinyl)-6-oxoheptanoate Traditional Name: 7-(benzenesulfinyl)-6-keto-enanthic acid methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=O)CS(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCC(=O)CS(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H18O4S/c1-18-14(16)10-6-5-7-12(15)11-19(17)13-8-3-2-4-9-13/h2-4,8-9H,5-7,10-11H2,1H3