2-ethyl-2-[2-[4-nitro-2-(phenylmethyl)phenyl]ethyl]hexanal

Systemtic Name: 2-ethyl-2-[2-[4-nitro-2-(phenylmethyl)phenyl]ethyl]hexanal Openeye Name: 2-[2-(2-benzyl-4-nitro-phenyl)ethyl]-2-ethyl-hexanal CAS Name: 2-ethyl-2-[2-[4-nitro-2-(phenylmethyl)phenyl]ethyl]hexanal IUPAC Name: 2-[2-(2-benzyl-4-nitrophenyl)ethyl]-2-ethylhexanal Traditional Name: 2-[2-(2-benzyl-4-nitro-phenyl)ethyl]-2-ethyl-hexanal Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CCC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCC(CC)(CCC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)C=O

InChI

InChI=1S/C23H29NO3/c1-3-5-14-23(4-2,18-25)15-13-20-11-12-22(24(26)27)17-21(20)16-19-9-7-6-8-10-19/h6-12,17-18H,3-5,13-16H2,1-2H3