8A8

6-(cyclohexylmethoxy)phthalazine-1,4-dione

Created:	2021-10-07
Last modified:	2022-08-22

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	6

2D diagram of 8A8

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Chemical Component Summary
Name	6-(cyclohexylmethoxy)phthalazine-1,4-dione
Systematic Name (OpenEye OEToolkits)	6-(cyclohexylmethoxy)phthalazine-1,4-dione
Formula	C₁₅ H₁₆ N₂ O₃
Molecular Weight	272.299
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1N=NC(=O)c2cc(OCC3CCCCC3)ccc12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1OCC3CCCCC3)C(=O)N=NC2=O
Canonical SMILES	CACTVS	3.385	O=C1N=NC(=O)c2cc(OCC3CCCCC3)ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1OCC3CCCCC3)C(=O)N=NC2=O
InChI	InChI	1.06	InChI=1S/C15H16N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKey	InChI	1.06	FJVMZSOVKUYXNA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	163203935

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