[2-methyl-4-[2-[3-methyl-4-(phenylsulfonyloxy)phenyl]propan-2-yl]phenyl] benzenesulfonate

Systemtic Name: [2-methyl-4-[2-[3-methyl-4-(phenylsulfonyloxy)phenyl]propan-2-yl]phenyl] benzenesulfonate Openeye Name: [4-[1-[4-(benzenesulfonyloxy)-3-methyl-phenyl]-1-methyl-ethyl]-2-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[2-[4-(benzenesulfonyloxy)-3-methylphenyl]propan-2-yl]-2-methylphenyl] ester IUPAC Name: [4-[2-[4-(benzenesulfonyloxy)-3-methylphenyl]propan-2-yl]-2-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[1-(4-besyloxy-3-methyl-phenyl)-1-methyl-ethyl]-2-methyl-phenyl] ester Formula: C29H28O6S2 MolecularWeight: 536.65902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C)OS(=O)(=O)C4=CC=CC=C4

InChI

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