2-(1-oxidanyl-3-prop-2-enoxy-propan-2-yl)sulfanylbenzoic acid

Systemtic Name: 2-(1-oxidanyl-3-prop-2-enoxy-propan-2-yl)sulfanylbenzoic acid Openeye Name: 2-[1-(allyloxymethyl)-2-hydroxy-ethyl]sulfanylbenzoic acid CAS Name: 2-[(1-hydroxy-3-prop-2-enoxypropan-2-yl)thio]benzoic acid IUPAC Name: 2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)sulfanylbenzoic acid Traditional Name: 2-[[1-(allyloxymethyl)-2-hydroxy-ethyl]thio]benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOCC(CO)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

C=CCOCC(CO)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H16O4S/c1-2-7-17-9-10(8-14)18-12-6-4-3-5-11(12)13(15)16/h2-6,10,14H,1,7-9H2,(H,15,16)