4-[bis[(phenylmethyl)sulfonyl]methyl]benzoic acid

Systemtic Name: 4-[bis[(phenylmethyl)sulfonyl]methyl]benzoic acid Openeye Name: 4-[bis(benzylsulfonyl)methyl]benzoic acid CAS Name: 4-[bis[(phenylmethyl)sulfonyl]methyl]benzoic acid IUPAC Name: 4-[bis(benzylsulfonyl)methyl]benzoic acid Traditional Name: 4-[bis(benzylsulfonyl)methyl]benzoic acid Formula: C22H20O6S2 MolecularWeight: 444.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H20O6S2/c23-21(24)19-11-13-20(14-12-19)22(29(25,26)15-17-7-3-1-4-8-17)30(27,28)16-18-9-5-2-6-10-18/h1-14,22H,15-16H2,(H,23,24)