propan-2-yl 2-chloranylsulfonyl-3-methylsulfanyl-benzoate

Systemtic Name: propan-2-yl 2-chloranylsulfonyl-3-methylsulfanyl-benzoate Openeye Name: isopropyl 2-chlorosulfonyl-3-methylsulfanyl-benzoate CAS Name: 2-chlorosulfonyl-3-(methylthio)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chlorosulfonyl-3-methylsulfanylbenzoate Traditional Name: 2-chlorosulfonyl-3-(methylthio)benzoic acid isopropyl ester Formula: C11H13ClO4S2 MolecularWeight: 308.80152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C(=CC=C1)SC)S(=O)(=O)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C(=CC=C1)SC)S(=O)(=O)Cl

InChI

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