4-[3-[5-methyl-2-(phenylsulfonyloxy)phenyl]-3-phenyl-propyl]benzenesulfonic acid

Systemtic Name: 4-[3-[5-methyl-2-(phenylsulfonyloxy)phenyl]-3-phenyl-propyl]benzenesulfonic acid Openeye Name: 4-[3-[2-(benzenesulfonyloxy)-5-methyl-phenyl]-3-phenyl-propyl]benzenesulfonic acid CAS Name: 4-[3-[2-(benzenesulfonyloxy)-5-methylphenyl]-3-phenylpropyl]benzenesulfonic acid IUPAC Name: 4-[3-[2-(benzenesulfonyloxy)-5-methylphenyl]-3-phenylpropyl]benzenesulfonic acid Traditional Name: 4-[3-(2-besyloxy-5-methyl-phenyl)-3-phenyl-propyl]besylic acid Formula: C28H26O6S2 MolecularWeight: 522.63244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(CCC3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(CCC3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H26O6S2/c1-21-12-19-28(34-36(32,33)25-10-6-3-7-11-25)27(20-21)26(23-8-4-2-5-9-23)18-15-22-13-16-24(17-14-22)35(29,30)31/h2-14,16-17,19-20,26H,15,18H2,1H3,(H,29,30,31)