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

Systemtic Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] 2-methylpropanoate Openeye Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-[diazo-(2,4-dimethylphenyl)sulfonylmethyl]sulfonylphenyl] ester IUPAC Name: [4-[diazo-(2,4-dimethylphenyl)sulfonylmethyl]sulfonylphenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] ester Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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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)OC(=O)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S2/c1-12(2)18(22)27-15-6-8-16(9-7-15)28(23,24)19(21-20)29(25,26)17-10-5-13(3)11-14(17)4/h5-12H,1-4H3