[4-[diazo(methylsulfonyl)methyl]sulfonylphenyl] butane-1-sulfonate

Systemtic Name: [4-[diazo(methylsulfonyl)methyl]sulfonylphenyl] butane-1-sulfonate Openeye Name: [4-[diazo(methylsulfonyl)methyl]sulfonylphenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[diazo(methylsulfonyl)methyl]sulfonylphenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[diazo(mesyl)methyl]sulfonylphenyl] ester Formula: C12H16N2O7S3 MolecularWeight: 396.45964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O7S3/c1-3-4-9-23(17,18)21-10-5-7-11(8-6-10)24(19,20)12(14-13)22(2,15)16/h5-8H,3-4,9H2,1-2H3