2-(methoxymethylsulfanylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(methoxymethylsulfanylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(methoxymethylsulfanyl)propanoic acid CAS Name: 2-[(methoxymethylthio)methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(methoxymethylsulfanyl)propanoic acid Traditional Name: 2-benzyl-3-(methoxymethylthio)propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

COCSCC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

COCSCC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H16O3S/c1-15-9-16-8-11(12(13)14)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14)