2-(3-chloranyl-4-ethoxycarbonyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(3-chloranyl-4-ethoxycarbonyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(3-chloro-4-ethoxycarbonyl-phenyl)sulfanylacetic acid CAS Name: 2-[(3-chloro-4-ethoxycarbonylphenyl)thio]acetic acid IUPAC Name: 2-(3-chloro-4-ethoxycarbonylphenyl)sulfanylacetic acid Traditional Name: 2-[(4-carbethoxy-3-chloro-phenyl)thio]acetic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)SCC(=O)O)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)SCC(=O)O)Cl

InChI

InChI=1S/C11H11ClO4S/c1-2-16-11(15)8-4-3-7(5-9(8)12)17-6-10(13)14/h3-5H,2,6H2,1H3,(H,13,14)