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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoic acid Openeye Name: 3-(p-tolylsulfonyl)-2-(p-tolylsulfonylmethyl)propanoic acid CAS Name: 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoic acid IUPAC Name: 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoic acid Traditional Name: 3-tosyl-2-(tosylmethyl)propionic acid Formula: C18H20O6S2 MolecularWeight: 396.4778

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H20O6S2/c1-13-3-7-16(8-4-13)25(21,22)11-15(18(19)20)12-26(23,24)17-9-5-14(2)6-10-17/h3-10,15H,11-12H2,1-2H3,(H,19,20)