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

Systemtic Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] propanoate Openeye Name: [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] propanoate CAS Name: propanoic acid [4-[diazo-(2,4-dimethylphenyl)sulfonylmethyl]sulfonylphenyl] ester IUPAC Name: [4-[diazo-(2,4-dimethylphenyl)sulfonylmethyl]sulfonylphenyl] propanoate Traditional Name: propionic acid [4-[diazo-(2,4-dimethylphenyl)sulfonyl-methyl]sulfonylphenyl] ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C18H18N2O6S2/c1-4-17(21)26-14-6-8-15(9-7-14)27(22,23)18(20-19)28(24,25)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3