2-(tert-butylsulfonylmethyl)-3-[3-(2,4-dinitrophenyl)phenyl]propanal

Systemtic Name: 2-(tert-butylsulfonylmethyl)-3-[3-(2,4-dinitrophenyl)phenyl]propanal Openeye Name: 2-(tert-butylsulfonylmethyl)-3-[3-(2,4-dinitrophenyl)phenyl]propanal CAS Name: 2-(tert-butylsulfonylmethyl)-3-[3-(2,4-dinitrophenyl)phenyl]propanal IUPAC Name: 2-(tert-butylsulfonylmethyl)-3-[3-(2,4-dinitrophenyl)phenyl]propanal Traditional Name: 2-(tert-butylsulfonylmethyl)-3-[3-(2,4-dinitrophenyl)phenyl]propionaldehyde Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-20(2,3)30(28,29)13-15(12-23)9-14-5-4-6-16(10-14)18-8-7-17(21(24)25)11-19(18)22(26)27/h4-8,10-12,15H,9,13H2,1-3H3