2-(4-chloranyl-2-methoxycarbonyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-chloranyl-2-methoxycarbonyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(4-chloro-2-methoxycarbonyl-phenyl)sulfanylacetic acid CAS Name: 2-[(4-chloro-2-methoxycarbonylphenyl)thio]acetic acid IUPAC Name: 2-(4-chloro-2-methoxycarbonylphenyl)sulfanylacetic acid Traditional Name: 2-[(2-carbomethoxy-4-chloro-phenyl)thio]acetic acid Formula: C10H9ClO4S MolecularWeight: 260.69406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Cl)SCC(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Cl)SCC(=O)O

InChI

InChI=1S/C10H9ClO4S/c1-15-10(14)7-4-6(11)2-3-8(7)16-5-9(12)13/h2-4H,5H2,1H3,(H,12,13)