(4S)-2,5-dimethyl-4-(nitromethyl)hexan-3-one

Systemtic Name: (4S)-2,5-dimethyl-4-(nitromethyl)hexan-3-one Openeye Name: (4S)-2,5-dimethyl-4-(nitromethyl)hexan-3-one CAS Name: (4S)-2,5-dimethyl-4-(nitromethyl)-3-hexanone IUPAC Name: (4S)-2,5-dimethyl-4-(nitromethyl)hexan-3-one Traditional Name: (4S)-2,5-dimethyl-4-(nitromethyl)hexan-3-one Formula: C9H17NO3 MolecularWeight: 187.23618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C[N+](=O)[O-])C(=O)C(C)C

InChI

InChI=1S/C9H17NO3/c1-6(2)8(5-10(12)13)9(11)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1