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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1 entries where 4VV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	0

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
Formula	C₁₅ H₂₆ N₆ O₂
Molecular Weight	322.406
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CCCCCCN1CC=NC1=[C@H]NO)N2CC=N\C2=C/NO
SMILES	CACTVS	3.385	ONC=C1N=CCN1CCCCCCCN2CC=NC2=CNO
SMILES	OpenEye OEToolkits	1.9.2	C1C=NC(=CNO)N1CCCCCCCN2CC=NC2=CNO
Canonical SMILES	CACTVS	3.385	ON\C=C1/N=CCN1CCCCCCCN\2CC=NC\2=C\NO
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2
InChI	InChI	1.03	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+
InChIKey	InChI	1.03	XUMCQYQLNOCDFI-QUMQEAAQSA-N

Related Resource References

Resource Name	Reference
PubChem	137348292

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