N-hexyl-5-[(6-hexylimino-5-nitro-1-oxidanyl-pyridin-3-yl)disulfanyl]-3-nitro-1-oxidanyl-pyridin-2-imine

Systemtic Name: N-hexyl-5-[(6-hexylimino-5-nitro-1-oxidanyl-pyridin-3-yl)disulfanyl]-3-nitro-1-oxidanyl-pyridin-2-imine Openeye Name: N-hexyl-5-[(6-hexylimino-1-hydroxy-5-nitro-3-pyridyl)disulfanyl]-1-hydroxy-3-nitro-pyridin-2-imine CAS Name: N-hexyl-5-[(6-hexylimino-1-hydroxy-5-nitro-3-pyridinyl)disulfanyl]-1-hydroxy-3-nitro-2-pyridinimine IUPAC Name: N-hexyl-5-[(6-hexylimino-1-hydroxy-5-nitropyridin-3-yl)disulfanyl]-1-hydroxy-3-nitropyridin-2-imine Traditional Name: hexyl-[5-[(6-hexylimino-1-hydroxy-5-nitro-3-pyridyl)disulfanyl]-1-hydroxy-3-nitro-2-pyridylidene]amine Formula: C22H32N6O6S2 MolecularWeight: 540.65608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C1C(=CC(=CN1O)SSC2=CN(C(=NCCCCCC)C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN=C1C(=CC(=CN1O)SSC2=CN(C(=NCCCCCC)C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C22H32N6O6S2/c1-3-5-7-9-11-23-21-19(27(31)32)13-17(15-25(21)29)35-36-18-14-20(28(33)34)22(26(30)16-18)24-12-10-8-6-4-2/h13-16,29-30H,3-12H2,1-2H3