methyl 5-chloranylsulfonyl-2-methyl-benzoate

Systemtic Name: methyl 5-chloranylsulfonyl-2-methyl-benzoate Openeye Name: methyl 5-chlorosulfonyl-2-methyl-benzoate CAS Name: 5-chlorosulfonyl-2-methylbenzoic acid methyl ester IUPAC Name: methyl 5-chlorosulfonyl-2-methylbenzoate Traditional Name: 5-chlorosulfonyl-2-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)S(=O)(=O)Cl)C(=O)OC

Isomeric SMILES

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

InChI

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