phenyl (E)-3-[[3-[bis(oxidanyl)methyl]phenyl]methylsulfanyl]hex-4-enoate

Systemtic Name: phenyl (E)-3-[[3-[bis(oxidanyl)methyl]phenyl]methylsulfanyl]hex-4-enoate Openeye Name: phenyl (E)-3-[[3-(dihydroxymethyl)phenyl]methylsulfanyl]hex-4-enoate CAS Name: (E)-3-[[3-(dihydroxymethyl)phenyl]methylthio]-4-hexenoic acid phenyl ester IUPAC Name: phenyl (E)-3-[[3-(dihydroxymethyl)phenyl]methylsulfanyl]hex-4-enoate Traditional Name: (E)-3-[[3-(dihydroxymethyl)benzyl]thio]hex-4-enoic acid phenyl ester Formula: C20H22O4S MolecularWeight: 358.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CC(=O)OC1=CC=CC=C1)SCC2=CC(=CC=C2)C(O)O

Isomeric SMILES

C/C=C/C(CC(=O)OC1=CC=CC=C1)SCC2=CC(=CC=C2)C(O)O

InChI

InChI=1S/C20H22O4S/c1-2-7-18(13-19(21)24-17-10-4-3-5-11-17)25-14-15-8-6-9-16(12-15)20(22)23/h2-12,18,20,22-23H,13-14H2,1H3/b7-2+