2-methoxycarbonyl-2-[5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-phenylsulfanyl-phenyl]propanedioic acid

Systemtic Name: 2-methoxycarbonyl-2-[5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-phenylsulfanyl-phenyl]propanedioic acid Openeye Name: 2-[5-(2-hydroxy-1-methyl-2-oxo-ethyl)-2-phenylsulfanyl-phenyl]-2-methoxycarbonyl-propanedioic acid CAS Name: 2-[5-(1-hydroxy-1-oxopropan-2-yl)-2-(phenylthio)phenyl]-2-methoxycarbonylpropanedioic acid IUPAC Name: 2-[5-(1-hydroxy-1-oxopropan-2-yl)-2-phenylsulfanylphenyl]-2-methoxycarbonylpropanedioic acid Traditional Name: 2-carbomethoxy-2-[5-(2-hydroxy-2-keto-1-methyl-ethyl)-2-(phenylthio)phenyl]malonic acid Formula: C20H18O8S MolecularWeight: 418.41712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)SC2=CC=CC=C2)C(C(=O)O)(C(=O)O)C(=O)OC)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)SC2=CC=CC=C2)C(C(=O)O)(C(=O)O)C(=O)OC)C(=O)O

InChI

InChI=1S/C20H18O8S/c1-11(16(21)22)12-8-9-15(29-13-6-4-3-5-7-13)14(10-12)20(17(23)24,18(25)26)19(27)28-2/h3-11H,1-2H3,(H,21,22)(H,23,24)(H,25,26)