[4-[[3,5-dimethyl-4-(phenylsulfonyloxy)phenyl]methyl]-2,6-dimethyl-phenyl] benzenesulfonate

Systemtic Name: [4-[[3,5-dimethyl-4-(phenylsulfonyloxy)phenyl]methyl]-2,6-dimethyl-phenyl] benzenesulfonate Openeye Name: [4-[[4-(benzenesulfonyloxy)-3,5-dimethyl-phenyl]methyl]-2,6-dimethyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[[4-(benzenesulfonyloxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenyl] ester IUPAC Name: [4-[[4-(benzenesulfonyloxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(4-besyloxy-3,5-dimethyl-benzyl)-2,6-dimethyl-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=CC=C2)C)CC3=CC(=C(C(=C3)C)OS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C)CC3=CC(=C(C(=C3)C)OS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C29H28O6S2/c1-20-15-24(16-21(2)28(20)34-36(30,31)26-11-7-5-8-12-26)19-25-17-22(3)29(23(4)18-25)35-37(32,33)27-13-9-6-10-14-27/h5-18H,19H2,1-4H3