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

Systemtic Name: 2-chloranyl-3-(ethylsulfanylmethyl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(ethylsulfanylmethyl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-[(ethylthio)methyl]-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(ethylsulfanylmethyl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-[(ethylthio)methyl]-4-mesyl-benzoic acid Formula: C11H13ClO4S2 MolecularWeight: 308.80152

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCSCC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H13ClO4S2/c1-3-17-6-8-9(18(2,15)16)5-4-7(10(8)12)11(13)14/h4-5H,3,6H2,1-2H3,(H,13,14)