2-methyl-2-[4-[3-[4-(4-methylsulfonyloxyphenyl)phenyl]propoxy]phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[4-[3-[4-(4-methylsulfonyloxyphenyl)phenyl]propoxy]phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[4-[3-[4-(4-methylsulfonyloxyphenyl)phenyl]propoxy]phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[4-[3-[4-(4-methylsulfonyloxyphenyl)phenyl]propoxy]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-[4-(4-methylsulfonyloxyphenyl)phenyl]propoxy]phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[4-[3-[4-(4-methylsulfonyloxyphenyl)phenyl]propoxy]phenyl]thio]propionic acid Formula: C26H28O6S2 MolecularWeight: 500.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)OCCCC2=CC=C(C=C2)C3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)OCCCC2=CC=C(C=C2)C3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C26H28O6S2/c1-26(2,25(27)28)33-24-16-14-22(15-17-24)31-18-4-5-19-6-8-20(9-7-19)21-10-12-23(13-11-21)32-34(3,29)30/h6-17H,4-5,18H2,1-3H3,(H,27,28)