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

Systemtic Name: [4-[diazo-(4-methylphenyl)sulfonyl-methyl]sulfonylphenyl] 2-methylpropanoate Openeye Name: [4-[diazo(p-tolylsulfonyl)methyl]sulfonylphenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-[diazo-(4-methylphenyl)sulfonylmethyl]sulfonylphenyl] ester IUPAC Name: [4-[diazo-(4-methylphenyl)sulfonylmethyl]sulfonylphenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-[diazo(tosyl)methyl]sulfonylphenyl] ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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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

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

InChI

InChI=1S/C18H18N2O6S2/c1-12(2)17(21)26-14-6-10-16(11-7-14)28(24,25)18(20-19)27(22,23)15-8-4-13(3)5-9-15/h4-12H,1-3H3