2-nitro-2-(3-oxidanylbutyl)cyclooctan-1-one

Systemtic Name: 2-nitro-2-(3-oxidanylbutyl)cyclooctan-1-one Openeye Name: 2-(3-hydroxybutyl)-2-nitro-cyclooctanone CAS Name: 2-(3-hydroxybutyl)-2-nitro-1-cyclooctanone IUPAC Name: 2-(3-hydroxybutyl)-2-nitrocyclooctan-1-one Traditional Name: 2-(3-hydroxybutyl)-2-nitro-cyclooctanone Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1(CCCCCCC1=O)[N+](=O)[O-])O

Isomeric SMILES

CC(CCC1(CCCCCCC1=O)[N+](=O)[O-])O

InChI

InChI=1S/C12H21NO4/c1-10(14)7-9-12(13(16)17)8-5-3-2-4-6-11(12)15/h10,14H,2-9H2,1H3