3-[(4-methylphenyl)sulfonyloxymethyl]-4-thiophen-2-yl-butanoic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonyloxymethyl]-4-thiophen-2-yl-butanoic acid Openeye Name: 3-(p-tolylsulfonyloxymethyl)-4-(2-thienyl)butanoic acid CAS Name: 3-[(4-methylphenyl)sulfonyloxymethyl]-4-thiophen-2-ylbutanoic acid IUPAC Name: 3-[(4-methylphenyl)sulfonyloxymethyl]-4-thiophen-2-ylbutanoic acid Traditional Name: 3-(2-thenyl)-4-tosyloxy-butyric acid Formula: C16H18O5S2 MolecularWeight: 354.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CS2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CS2)CC(=O)O

InChI

InChI=1S/C16H18O5S2/c1-12-4-6-15(7-5-12)23(19,20)21-11-13(10-16(17)18)9-14-3-2-8-22-14/h2-8,13H,9-11H2,1H3,(H,17,18)