methyl 3-[bis(methylsulfanyl)methyl]-2-chloranyl-4-methylsulfonyl-benzoate

Systemtic Name: methyl 3-[bis(methylsulfanyl)methyl]-2-chloranyl-4-methylsulfonyl-benzoate Openeye Name: methyl 3-[bis(methylsulfanyl)methyl]-2-chloro-4-methylsulfonyl-benzoate CAS Name: 3-[bis(methylthio)methyl]-2-chloro-4-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-[bis(methylsulfanyl)methyl]-2-chloro-4-methylsulfonylbenzoate Traditional Name: 3-[bis(methylthio)methyl]-2-chloro-4-mesyl-benzoic acid methyl ester Formula: C12H15ClO4S3 MolecularWeight: 354.8931

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C(SC)SC)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C(SC)SC)Cl

InChI

InChI=1S/C12H15ClO4S3/c1-17-11(14)7-5-6-8(20(4,15)16)9(10(7)13)12(18-2)19-3/h5-6,12H,1-4H3