2-chloranyl-3,4-bis(ethylsulfanyl)benzoic acid

Systemtic Name: 2-chloranyl-3,4-bis(ethylsulfanyl)benzoic acid Openeye Name: 2-chloro-3,4-bis(ethylsulfanyl)benzoic acid CAS Name: 2-chloro-3,4-bis(ethylthio)benzoic acid IUPAC Name: 2-chloro-3,4-bis(ethylsulfanyl)benzoic acid Traditional Name: 2-chloro-3,4-bis(ethylthio)benzoic acid Formula: C11H13ClO2S2 MolecularWeight: 276.80272

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(C=C1)C(=O)O)Cl)SCC

Isomeric SMILES

CCSC1=C(C(=C(C=C1)C(=O)O)Cl)SCC

InChI

InChI=1S/C11H13ClO2S2/c1-3-15-8-6-5-7(11(13)14)9(12)10(8)16-4-2/h5-6H,3-4H2,1-2H3,(H,13,14)