2-(1-oxidanyl-3-phenylmethoxy-propan-2-yl)oxysulfanylethanoic acid

Systemtic Name: 2-(1-oxidanyl-3-phenylmethoxy-propan-2-yl)oxysulfanylethanoic acid Openeye Name: 2-[1-(benzyloxymethyl)-2-hydroxy-ethoxy]sulfanylacetic acid CAS Name: 2-[(1-hydroxy-3-phenylmethoxypropan-2-yl)oxythio]acetic acid IUPAC Name: 2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxysulfanylacetic acid Traditional Name: 2-[[1-(benzoxymethyl)-2-hydroxy-ethoxy]thio]acetic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CO)OSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCC(CO)OSCC(=O)O

InChI

InChI=1S/C12H16O5S/c13-6-11(17-18-9-12(14)15)8-16-7-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)