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

Systemtic Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)prop-2-enylsulfanyl]-3-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)allylsulfanyl]-3-iodo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)prop-2-enylthio]-3-iodophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)prop-2-enylsulfanyl]-3-iodophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(3-methylsulfonyloxyphenyl)allylthio]-3-iodo-phenoxy]acetic acid Formula: C25H23IO9S3 MolecularWeight: 690.54419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23IO9S3/c1-37(29,30)34-20-7-3-5-17(13-20)22(18-6-4-8-21(14-18)35-38(2,31)32)11-12-36-24-10-9-19(15-23(24)26)33-16-25(27)28/h3-11,13-15H,12,16H2,1-2H3,(H,27,28)