16-(3-cyclopropyl-2-nitro-phenyl)hexadecan-2-one

Systemtic Name: 16-(3-cyclopropyl-2-nitro-phenyl)hexadecan-2-one Openeye Name: 16-(3-cyclopropyl-2-nitro-phenyl)hexadecan-2-one CAS Name: 16-(3-cyclopropyl-2-nitrophenyl)-2-hexadecanone IUPAC Name: 16-(3-cyclopropyl-2-nitrophenyl)hexadecan-2-one Traditional Name: 16-(3-cyclopropyl-2-nitro-phenyl)hexadecan-2-one Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCCCCCCCCCC1=CC=CC(=C1[N+](=O)[O-])C2CC2

Isomeric SMILES

CC(=O)CCCCCCCCCCCCCCC1=CC=CC(=C1[N+](=O)[O-])C2CC2

InChI

InChI=1S/C25H39NO3/c1-21(27)15-12-10-8-6-4-2-3-5-7-9-11-13-16-23-17-14-18-24(22-19-20-22)25(23)26(28)29/h14,17-18,22H,2-13,15-16,19-20H2,1H3