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

Systemtic Name: 2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-5-methyl-benzenesulfonic acid Openeye Name: 2-[4-[4-[1-(4-methoxyphenyl)-1-methyl-ethyl]phenoxy]phenyl]sulfonyl-5-methyl-benzenesulfonic acid CAS Name: 2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-5-methylbenzenesulfonic acid IUPAC Name: 2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-5-methylbenzenesulfonic acid Traditional Name: 2-[4-[4-[1-(4-methoxyphenyl)-1-methyl-ethyl]phenoxy]phenyl]sulfonyl-5-methyl-besylic acid Formula: C29H28O7S2 MolecularWeight: 552.65842

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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)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)O

InChI

InChI=1S/C29H28O7S2/c1-20-5-18-27(28(19-20)38(32,33)34)37(30,31)26-16-14-25(15-17-26)36-24-12-8-22(9-13-24)29(2,3)21-6-10-23(35-4)11-7-21/h5-19H,1-4H3,(H,32,33,34)