methyl (7E,9E)-20-[4-(4-methoxy-4-oxidanylidene-butanoyl)phenyl]sulfanyl-2-oxidanyl-icosa-7,9-dienoate

Systemtic Name: methyl (7E,9E)-20-[4-(4-methoxy-4-oxidanylidene-butanoyl)phenyl]sulfanyl-2-oxidanyl-icosa-7,9-dienoate Openeye Name: methyl (7E,9E)-2-hydroxy-20-[4-(4-methoxy-4-oxo-butanoyl)phenyl]sulfanyl-icosa-7,9-dienoate CAS Name: (7E,9E)-2-hydroxy-20-[[4-(4-methoxy-1,4-dioxobutyl)phenyl]thio]eicosa-7,9-dienoic acid methyl ester IUPAC Name: methyl (7E,9E)-2-hydroxy-20-[4-(4-methoxy-4-oxobutanoyl)phenyl]sulfanylicosa-7,9-dienoate Traditional Name: (7E,9E)-2-hydroxy-20-[[4-(4-keto-4-methoxy-butanoyl)phenyl]thio]eicosa-7,9-dienoic acid methyl ester Formula: C32H48O6S MolecularWeight: 560.78492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC=C(C=C1)SCCCCCCCCCCC=CC=CCCCCC(C(=O)OC)O

Isomeric SMILES

COC(=O)CCC(=O)C1=CC=C(C=C1)SCCCCCCCCCC/C=C/C=C/CCCCC(C(=O)OC)O

InChI

InChI=1S/C32H48O6S/c1-37-31(35)25-24-29(33)27-20-22-28(23-21-27)39-26-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-30(34)32(36)38-2/h5,7,9,11,20-23,30,34H,3-4,6,8,10,12-19,24-26H2,1-2H3/b7-5+,11-9+