[3-methyl-4-(phenylmethyl)sulfonyl-phenyl] benzenesulfonate

Systemtic Name: [3-methyl-4-(phenylmethyl)sulfonyl-phenyl] benzenesulfonate Openeye Name: (4-benzylsulfonyl-3-methyl-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid [3-methyl-4-(phenylmethyl)sulfonylphenyl] ester IUPAC Name: (4-benzylsulfonyl-3-methylphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-benzylsulfonyl-3-methyl-phenyl) ester Formula: C20H18O5S2 MolecularWeight: 402.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H18O5S2/c1-16-14-18(25-27(23,24)19-10-6-3-7-11-19)12-13-20(16)26(21,22)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3