4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoic acid

Systemtic Name: 4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoic acid Openeye Name: 4-[3-(p-tolylsulfonyl)-2-(p-tolylsulfonylmethyl)propanoyl]benzoic acid CAS Name: 4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1-oxopropyl]benzoic acid IUPAC Name: 4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoic acid Traditional Name: 4-[3-tosyl-2-(tosylmethyl)propanoyl]benzoic acid Formula: C25H24O7S2 MolecularWeight: 500.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H24O7S2/c1-17-3-11-22(12-4-17)33(29,30)15-21(16-34(31,32)23-13-5-18(2)6-14-23)24(26)19-7-9-20(10-8-19)25(27)28/h3-14,21H,15-16H2,1-2H3,(H,27,28)