methyl 4-chloranylsulfonyl-3-methyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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