4-chloranyl-3-(ethylsulfanylmethyl)-2-methylsulfanyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(ethylsulfanylmethyl)-2-methylsulfanyl-benzoic acid Openeye Name: 4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanyl-benzoic acid CAS Name: 4-chloro-3-[(ethylthio)methyl]-2-(methylthio)benzoic acid IUPAC Name: 4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanylbenzoic acid Traditional Name: 4-chloro-3-[(ethylthio)methyl]-2-(methylthio)benzoic acid Formula: C11H13ClO2S2 MolecularWeight: 276.80272

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C=CC(=C1SC)C(=O)O)Cl

Isomeric SMILES

CCSCC1=C(C=CC(=C1SC)C(=O)O)Cl

InChI

InChI=1S/C11H13ClO2S2/c1-3-16-6-8-9(12)5-4-7(11(13)14)10(8)15-2/h4-5H,3,6H2,1-2H3,(H,13,14)