2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-5-methyl-benzenesulfinate

Systemtic Name: 2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-5-methyl-benzenesulfinate Openeye Name: 2-[4-[4-[1-(4-methoxyphenyl)-1-methyl-ethyl]phenoxy]phenyl]sulfonyl-5-methyl-benzenesulfinate CAS Name: 2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-5-methylbenzenesulfinate IUPAC Name: 2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-5-methylbenzenesulfinate Traditional Name: 2-[4-[4-[1-(4-methoxyphenyl)-1-methyl-ethyl]phenoxy]phenyl]sulfonyl-5-methyl-benzenesulfinate Formula: C29H27O6S2- MolecularWeight: 535.65108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OC)S(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OC)S(=O)[O-]

InChI

InChI=1S/C29H28O6S2/c1-20-5-18-28(27(19-20)36(30)31)37(32,33)26-16-14-25(15-17-26)35-24-12-8-22(9-13-24)29(2,3)21-6-10-23(34-4)11-7-21/h5-19H,1-4H3,(H,30,31)/p-1