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

Systemtic Name: [2-[diazo-(4-methylphenyl)sulfonyl-methyl]sulfonylphenyl] butane-1-sulfonate Openeye Name: [2-[diazo(p-tolylsulfonyl)methyl]sulfonylphenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-[diazo-(4-methylphenyl)sulfonylmethyl]sulfonylphenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-[diazo(tosyl)methyl]sulfonylphenyl] ester Formula: C18H20N2O7S3 MolecularWeight: 472.5556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC=C1S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC=C1S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H20N2O7S3/c1-3-4-13-28(21,22)27-16-7-5-6-8-17(16)30(25,26)18(20-19)29(23,24)15-11-9-14(2)10-12-15/h5-12H,3-4,13H2,1-2H3