2-[(4-methoxyphenyl)sulfanylmethyl]-2-oxidanyl-propanedioic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-2-oxidanyl-propanedioic acid Openeye Name: 2-hydroxy-2-[(4-methoxyphenyl)sulfanylmethyl]propanedioic acid CAS Name: 2-hydroxy-2-[[(4-methoxyphenyl)thio]methyl]propanedioic acid IUPAC Name: 2-hydroxy-2-[(4-methoxyphenyl)sulfanylmethyl]propanedioic acid Traditional Name: 2-hydroxy-2-[[(4-methoxyphenyl)thio]methyl]malonic acid Formula: C11H12O6S MolecularWeight: 272.27438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(C(=O)O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC(C(=O)O)(C(=O)O)O

InChI

InChI=1S/C11H12O6S/c1-17-7-2-4-8(5-3-7)18-6-11(16,9(12)13)10(14)15/h2-5,16H,6H2,1H3,(H,12,13)(H,14,15)