3-[(3-methoxycarbonylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(3-methoxycarbonylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3-methoxycarbonylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-methoxycarbonylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(3-methoxycarbonylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-carbomethoxybenzyl)thio]propionic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCCC(=O)O

InChI

InChI=1S/C12H14O4S/c1-16-12(15)10-4-2-3-9(7-10)8-17-6-5-11(13)14/h2-4,7H,5-6,8H2,1H3,(H,13,14)