ethyl 3-methylsulfanylbenzoate; sulfurochloridic acid

Systemtic Name: ethyl 3-methylsulfanylbenzoate; sulfurochloridic acid Openeye Name: ethyl 3-methylsulfanylbenzoate; sulfurochloridic acid CAS Name: 3-(methylthio)benzoic acid ethyl ester; sulfurochloridic acid IUPAC Name: ethyl 3-methylsulfanylbenzoate; sulfurochloridic acid Traditional Name: 3-(methylthio)benzoic acid ethyl ester; sulfurochloridic acid Formula: C10H13ClO5S2 MolecularWeight: 312.79022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2S.ClHO3S/c1-3-12-10(11)8-5-4-6-9(7-8)13-2;1-5(2,3)4/h4-7H,3H2,1-2H3;(H,2,3,4)