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

Systemtic Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)prop-2-enylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)allylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)prop-2-enylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)allylthio]-2-methyl-phenoxy]acetic acid Formula: C26H26O9S3 MolecularWeight: 578.67424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)OS(=O)(=O)C)C3=CC=C(C=C3)OS(=O)(=O)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)OS(=O)(=O)C)C3=CC=C(C=C3)OS(=O)(=O)C)OCC(=O)O

InChI

InChI=1S/C26H26O9S3/c1-18-16-23(12-13-25(18)33-17-26(27)28)36-15-14-24(19-4-8-21(9-5-19)34-37(2,29)30)20-6-10-22(11-7-20)35-38(3,31)32/h4-14,16H,15,17H2,1-3H3,(H,27,28)