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

Systemtic Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)prop-2-enylsulfanyl]-3-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)allylsulfanyl]-3-bromo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)prop-2-enylthio]-3-bromophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)prop-2-enylsulfanyl]-3-bromophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-methylsulfonyloxyphenyl)allylthio]-3-bromo-phenoxy]acetic acid Formula: C25H23BrO9S3 MolecularWeight: 643.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrO9S3/c1-37(29,30)34-19-7-3-17(4-8-19)22(18-5-9-20(10-6-18)35-38(2,31)32)13-14-36-24-12-11-21(15-23(24)26)33-16-25(27)28/h3-13,15H,14,16H2,1-2H3,(H,27,28)