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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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