[4-[2-[4-(2-methylphenoxy)sulfonylphenyl]propan-2-yl]phenyl] 2-methylbenzenesulfonate

Systemtic Name: [4-[2-[4-(2-methylphenoxy)sulfonylphenyl]propan-2-yl]phenyl] 2-methylbenzenesulfonate Openeye Name: [4-[1-methyl-1-[4-(2-methylphenoxy)sulfonylphenyl]ethyl]phenyl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [4-[2-[4-(2-methylphenoxy)sulfonylphenyl]propan-2-yl]phenyl] ester IUPAC Name: [4-[2-[4-(2-methylphenoxy)sulfonylphenyl]propan-2-yl]phenyl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [4-[1-methyl-1-[4-(2-methylphenoxy)sulfonylphenyl]ethyl]phenyl] ester Formula: C29H28O6S2 MolecularWeight: 536.65902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4C

InChI

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