[4-[diazo(methylsulfonyl)methyl]sulfonylphenyl] 2-oxidanylidenebutanoate

Systemtic Name: [4-[diazo(methylsulfonyl)methyl]sulfonylphenyl] 2-oxidanylidenebutanoate Openeye Name: [4-[diazo(methylsulfonyl)methyl]sulfonylphenyl] 2-oxobutanoate CAS Name: 2-oxobutanoic acid [4-[diazo(methylsulfonyl)methyl]sulfonylphenyl] ester IUPAC Name: [4-[diazo(methylsulfonyl)methyl]sulfonylphenyl] 2-oxobutanoate Traditional Name: 2-ketobutyric acid [4-[diazo(mesyl)methyl]sulfonylphenyl] ester Formula: C12H12N2O7S2 MolecularWeight: 360.36288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)OC1=CC=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C

Isomeric SMILES

CCC(=O)C(=O)OC1=CC=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C

InChI

InChI=1S/C12H12N2O7S2/c1-3-10(15)11(16)21-8-4-6-9(7-5-8)23(19,20)12(14-13)22(2,17)18/h4-7H,3H2,1-2H3