2-(oxan-2-yloxy)-2-(phenylsulfanylmethyl)propanedioic acid

Systemtic Name: 2-(oxan-2-yloxy)-2-(phenylsulfanylmethyl)propanedioic acid Openeye Name: 2-(phenylsulfanylmethyl)-2-tetrahydropyran-2-yloxy-propanedioic acid CAS Name: 2-(2-oxanyloxy)-2-[(phenylthio)methyl]propanedioic acid IUPAC Name: 2-(oxan-2-yloxy)-2-(phenylsulfanylmethyl)propanedioic acid Traditional Name: 2-[(phenylthio)methyl]-2-tetrahydropyran-2-yloxy-malonic acid Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(CSC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC(CSC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C15H18O6S/c16-13(17)15(14(18)19,21-12-8-4-5-9-20-12)10-22-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,17)(H,18,19)