[4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] ethanesulfonate

Systemtic Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] ethanesulfonate Openeye Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[diazo-(2,4-dimethylphenyl)sulfonylmethyl]sulfonylphenyl] ester IUPAC Name: [4-[diazo-(2,4-dimethylphenyl)sulfonylmethyl]sulfonylphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] ester Formula: C17H18N2O7S3 MolecularWeight: 458.52902

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

Isomeric SMILES

CCS(=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/C17H18N2O7S3/c1-4-27(20,21)26-14-6-8-15(9-7-14)28(22,23)17(19-18)29(24,25)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3