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

Systemtic Name: [4-[diazo(phenylsulfonyl)methyl]sulfonylphenyl] butane-1-sulfonate Openeye Name: [4-[benzenesulfonyl(diazo)methyl]sulfonylphenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[benzenesulfonyl(diazo)methyl]sulfonylphenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[besyl(diazo)methyl]sulfonylphenyl] ester Formula: C17H18N2O7S3 MolecularWeight: 458.52902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O7S3/c1-2-3-13-27(20,21)26-14-9-11-16(12-10-14)29(24,25)17(19-18)28(22,23)15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3