2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)allylsulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)prop-2-enylthio]phenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)prop-2-enylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)allylthio]phenoxy]acetic acid Formula: C25H24O9S3 MolecularWeight: 564.64766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)C(=CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC(=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)C(=CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC(=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C25H24O9S3/c1-36(28,29)33-21-7-3-5-18(15-21)24(19-6-4-8-22(16-19)34-37(2,30)31)13-14-35-23-11-9-20(10-12-23)32-17-25(26)27/h3-13,15-16H,14,17H2,1-2H3,(H,26,27)