methyl 3-methylsulfanylbenzoate; sulfurochloridic acid

Systemtic Name: methyl 3-methylsulfanylbenzoate; sulfurochloridic acid Openeye Name: methyl 3-methylsulfanylbenzoate; sulfurochloridic acid CAS Name: 3-(methylthio)benzoic acid methyl ester; sulfurochloridic acid IUPAC Name: methyl 3-methylsulfanylbenzoate; sulfurochloridic acid Traditional Name: 3-(methylthio)benzoic acid methyl ester; sulfurochloridic acid Formula: C9H11ClO5S2 MolecularWeight: 298.76364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SC.OS(=O)(=O)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SC.OS(=O)(=O)Cl

InChI

InChI=1S/C9H10O2S.ClHO3S/c1-11-9(10)7-4-3-5-8(6-7)12-2;1-5(2,3)4/h3-6H,1-2H3;(H,2,3,4)