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

Systemtic Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] methanesulfonate Openeye Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[diazo-(2,4-dimethylphenyl)sulfonylmethyl]sulfonylphenyl] ester IUPAC Name: [4-[diazo-(2,4-dimethylphenyl)sulfonylmethyl]sulfonylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] ester Formula: C16H16N2O7S3 MolecularWeight: 444.50244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)C)C

InChI

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