3-(2-nitropropan-2-yl)hexanal

Systemtic Name: 3-(2-nitropropan-2-yl)hexanal Openeye Name: 3-(1-methyl-1-nitro-ethyl)hexanal CAS Name: 3-(2-nitropropan-2-yl)hexanal IUPAC Name: 3-(2-nitropropan-2-yl)hexanal Traditional Name: 3-(1-methyl-1-nitro-ethyl)hexanal Formula: C9H17NO3 MolecularWeight: 187.23618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC=O)C(C)(C)[N+](=O)[O-]

Isomeric SMILES

CCCC(CC=O)C(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C9H17NO3/c1-4-5-8(6-7-11)9(2,3)10(12)13/h7-8H,4-6H2,1-3H3