methyl 3-chloranylsulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-chloranylsulfonyl-4-methyl-benzoate Openeye Name: methyl 3-chlorosulfonyl-4-methyl-benzoate CAS Name: 3-chlorosulfonyl-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-chlorosulfonyl-4-methylbenzoate Traditional Name: 3-chlorosulfonyl-4-methyl-benzoic acid methyl ester Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)Cl

InChI

InChI=1S/C9H9ClO4S/c1-6-3-4-7(9(11)14-2)5-8(6)15(10,12)13/h3-5H,1-2H3