1-(3-hexadecanoyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)hexadecan-1-one

Systemtic Name: 1-(3-hexadecanoyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)hexadecan-1-one Openeye Name: 1-(3-hexadecanoyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)hexadecan-1-one CAS Name: 1-[5-nitro-3-(1-oxohexadecyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]-1-hexadecanone IUPAC Name: 1-(3-hexadecanoyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)hexadecan-1-one Traditional Name: 1-(3-hexadecanoyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)hexadecan-1-one Formula: C38H72N4O4 MolecularWeight: 649.00268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1CC2(CN(C1)CN(C2)C(=O)CCCCCCCCCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1CC2(CN(C1)CN(C2)C(=O)CCCCCCCCCCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C38H72N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)40-32-38(42(45)46)31-39(34-40)35-41(33-38)37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3