2-bromanyl-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-bromanyl-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-bromo-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 2-bromo-3-[(4-methoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-bromo-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-bromo-3-(p-anisylthio)propionic acid Formula: C11H13BrO3S MolecularWeight: 305.18812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(C(=O)O)Br

Isomeric SMILES

COC1=CC=C(C=C1)CSCC(C(=O)O)Br

InChI

InChI=1S/C11H13BrO3S/c1-15-9-4-2-8(3-5-9)6-16-7-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)