[4-[diazo-(4-methylphenyl)sulfonyl-methyl]sulfonylphenyl] ethanesulfonate

Systemtic Name: [4-[diazo-(4-methylphenyl)sulfonyl-methyl]sulfonylphenyl] ethanesulfonate Openeye Name: [4-[diazo(p-tolylsulfonyl)methyl]sulfonylphenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[diazo-(4-methylphenyl)sulfonylmethyl]sulfonylphenyl] ester IUPAC Name: [4-[diazo-(4-methylphenyl)sulfonylmethyl]sulfonylphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[diazo(tosyl)methyl]sulfonylphenyl] ester Formula: C16H16N2O7S3 MolecularWeight: 444.50244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7S3/c1-3-26(19,20)25-13-6-10-15(11-7-13)28(23,24)16(18-17)27(21,22)14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3