5-[bis(cyanomethyl)sulfamoyl]-4-methyl-2-oxidanyl-benzoate

Systemtic Name: 5-[bis(cyanomethyl)sulfamoyl]-4-methyl-2-oxidanyl-benzoate Openeye Name: 5-[bis(cyanomethyl)sulfamoyl]-2-hydroxy-4-methyl-benzoate CAS Name: 5-[bis(cyanomethyl)sulfamoyl]-2-hydroxy-4-methylbenzoate IUPAC Name: 5-[bis(cyanomethyl)sulfamoyl]-2-hydroxy-4-methylbenzoate Traditional Name: 5-[bis(cyanomethyl)sulfamoyl]-2-hydroxy-4-methyl-benzoate Formula: C12H10N3O5S- MolecularWeight: 308.2899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)N(CC#N)CC#N

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)N(CC#N)CC#N

InChI

InChI=1S/C12H11N3O5S/c1-8-6-10(16)9(12(17)18)7-11(8)21(19,20)15(4-2-13)5-3-14/h6-7,16H,4-5H2,1H3,(H,17,18)/p-1