KC5

(4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one

Created:	2019-05-11
Last modified:	2019-05-22

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1 entries where KC5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	16

2D diagram of KC5

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Chemical Component Summary
Name	(4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
Systematic Name (OpenEye OEToolkits)	(4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
Formula	C₂₀ H₁₅ Cl₂ N O₄
Molecular Weight	404.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(NC=C2C(=O)CCc3c2oc4cc(Cl)c(O)c(Cl)c34)cc1
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)NC=C2c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O
Canonical SMILES	CACTVS	3.385	COc1ccc(N\C=C2/C(=O)CCc3c2oc4cc(Cl)c(O)c(Cl)c34)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)N/C=C\2/c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O
InChI	InChI	1.03	InChI=1S/C20H15Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-5,8-9,23,25H,6-7H2,1H3/b13-9+
InChIKey	InChI	1.03	GOSOFAONCKLXHN-UKTHLTGXSA-N

Related Resource References

Resource Name	Reference
PubChem	3000647
ChEMBL	CHEMBL1970784

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