[3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-3-oxo-1-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-[4-(2-hydroxyethylthio)phenyl]-2-methyl-3-oxo-1-phenylpropyl] ester IUPAC Name: [2-hydroxy-3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-3-oxo-1-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-[4-(2-hydroxyethylthio)phenyl]-3-keto-2-methyl-1-phenyl-propyl] ester Formula: C25H26O6S2 MolecularWeight: 486.60034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C(C)(C(=O)C3=CC=C(C=C3)SCCO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C(C)(C(=O)C3=CC=C(C=C3)SCCO)O

InChI

InChI=1S/C25H26O6S2/c1-18-8-14-22(15-9-18)33(29,30)31-24(20-6-4-3-5-7-20)25(2,28)23(27)19-10-12-21(13-11-19)32-17-16-26/h3-15,24,26,28H,16-17H2,1-2H3