4VV

(Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine)

Created:2015-06-08
Last modified:  2015-09-09

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count50
Aromatic Bond Count0
2D diagram of 4VV

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Chemical Component Summary

Name(Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine)
Systematic Name (OpenEye OEToolkits)N-[(Z)-[3-[7-[(2Z)-2-[(oxidanylamino)methylidene]-4H-imidazol-3-yl]heptyl]-4H-imidazol-2-ylidene]methyl]hydroxylamine
FormulaC15 H26 N6 O2
Molecular Weight322.406
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CCCCCCN1CC=NC1=[C@H]NO)N2CC=N\C2=C/NO
SMILESCACTVS3.385ONC=C1N=CCN1CCCCCCCN2CC=NC2=CNO
SMILESOpenEye OEToolkits1.9.2C1C=NC(=CNO)N1CCCCCCCN2CC=NC2=CNO
Canonical SMILESCACTVS3.385 ON\C=C1/N=CCN1CCCCCCCN\2CC=NC\2=C\NO
Canonical SMILESOpenEye OEToolkits1.9.2 C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2
InChIInChI1.03 InChI=1S/C15H26N6O2/c22-18-12-14-16-6-10-20(14)8-4-2-1-3-5-9-21-11-7-17-15(21)13-19-23/h6-7,12-13,18-19,22-23H,1-5,8-11H2/b14-12+,15-13+
InChIKeyInChI1.03 XUMCQYQLNOCDFI-QUMQEAAQSA-N

Related Resource References

Resource NameReference
PubChem 137348292