methyl 3-(1-oxidanyl-5-phenylmethoxy-pentan-2-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(1-oxidanyl-5-phenylmethoxy-pentan-2-yl)sulfanylpropanoate Openeye Name: methyl 3-[4-benzyloxy-1-(hydroxymethyl)butyl]sulfanylpropanoate CAS Name: 3-[(1-hydroxy-5-phenylmethoxypentan-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(1-hydroxy-5-phenylmethoxypentan-2-yl)sulfanylpropanoate Traditional Name: 3-[(4-benzoxy-1-methylol-butyl)thio]propionic acid methyl ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(CCCOCC1=CC=CC=C1)CO

Isomeric SMILES

COC(=O)CCSC(CCCOCC1=CC=CC=C1)CO

InChI

InChI=1S/C16H24O4S/c1-19-16(18)9-11-21-15(12-17)8-5-10-20-13-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3