[4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] butane-1-sulfonate

Systemtic Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] butane-1-sulfonate Openeye Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[diazo-(2,4-dimethylphenyl)sulfonylmethyl]sulfonylphenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] ester Formula: C19H22N2O7S3 MolecularWeight: 486.58218

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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)C2=C(C=C(C=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7S3/c1-4-5-12-29(22,23)28-16-7-9-17(10-8-16)30(24,25)19(21-20)31(26,27)18-11-6-14(2)13-15(18)3/h6-11,13H,4-5,12H2,1-3H3