3-[2-[3-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-propyl]-4-oxidanylidene-1,3-oxathiolan-2-yl]propanoic acid

Systemtic Name: 3-[2-[3-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-propyl]-4-oxidanylidene-1,3-oxathiolan-2-yl]propanoic acid Openeye Name: 3-[4-oxo-2-[3-oxo-3-(p-tolylsulfonyloxy)propyl]-1,3-oxathiolan-2-yl]propanoic acid CAS Name: 3-[2-[3-(4-methylphenyl)sulfonyloxy-3-oxopropyl]-4-oxo-1,3-oxathiolan-2-yl]propanoic acid IUPAC Name: 3-[2-[3-(4-methylphenyl)sulfonyloxy-3-oxopropyl]-4-oxo-1,3-oxathiolan-2-yl]propanoic acid Traditional Name: 3-[4-keto-2-(3-keto-3-tosyloxy-propyl)-1,3-oxathiolan-2-yl]propionic acid Formula: C16H18O8S2 MolecularWeight: 402.43932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)CCC2(OCC(=O)S2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)CCC2(OCC(=O)S2)CCC(=O)O

InChI

InChI=1S/C16H18O8S2/c1-11-2-4-12(5-3-11)26(21,22)24-14(19)7-9-16(8-6-13(17)18)23-10-15(20)25-16/h2-5H,6-10H2,1H3,(H,17,18)