2-methyl-4-nitro-heptadecan-5-one

Systemtic Name: 2-methyl-4-nitro-heptadecan-5-one Openeye Name: 2-methyl-4-nitro-heptadecan-5-one CAS Name: 2-methyl-4-nitro-5-heptadecanone IUPAC Name: 2-methyl-4-nitroheptadecan-5-one Traditional Name: 2-methyl-4-nitro-heptadecan-5-one Formula: C18H35NO3 MolecularWeight: 313.4754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35NO3/c1-4-5-6-7-8-9-10-11-12-13-14-18(20)17(19(21)22)15-16(2)3/h16-17H,4-15H2,1-3H3