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

Systemtic Name: [2-methyl-4-[[3-methyl-4-(phenylsulfonyloxy)phenyl]methyl]phenyl] benzenesulfonate Openeye Name: [4-[[4-(benzenesulfonyloxy)-3-methyl-phenyl]methyl]-2-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[[4-(benzenesulfonyloxy)-3-methylphenyl]methyl]-2-methylphenyl] ester IUPAC Name: [4-[[4-(benzenesulfonyloxy)-3-methylphenyl]methyl]-2-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(4-besyloxy-3-methyl-benzyl)-2-methyl-phenyl] ester Formula: C27H24O6S2 MolecularWeight: 508.60586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=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)CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24O6S2/c1-20-17-22(13-15-26(20)32-34(28,29)24-9-5-3-6-10-24)19-23-14-16-27(21(2)18-23)33-35(30,31)25-11-7-4-8-12-25/h3-18H,19H2,1-2H3