2,2-dimethyl-3-[4-nitro-2-(phenylmethyl)phenyl]sulfonyl-propanal

Systemtic Name: 2,2-dimethyl-3-[4-nitro-2-(phenylmethyl)phenyl]sulfonyl-propanal Openeye Name: 3-(2-benzyl-4-nitro-phenyl)sulfonyl-2,2-dimethyl-propanal CAS Name: 2,2-dimethyl-3-[4-nitro-2-(phenylmethyl)phenyl]sulfonylpropanal IUPAC Name: 3-(2-benzyl-4-nitrophenyl)sulfonyl-2,2-dimethylpropanal Traditional Name: 3-(2-benzyl-4-nitro-phenyl)sulfonyl-2,2-dimethyl-propionaldehyde Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)C=O

Isomeric SMILES

CC(C)(CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)C=O

InChI

InChI=1S/C18H19NO5S/c1-18(2,12-20)13-25(23,24)17-9-8-16(19(21)22)11-15(17)10-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3