8X0

(E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

Created:	2017-10-25
Last modified:	2018-04-11

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1 entries where 8X0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	12

2D diagram of 8X0

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Chemical Component Summary
Name	(E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Systematic Name (OpenEye OEToolkits)	(~{E})-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Formula	C₂₂ H₂₂ O₄
Molecular Weight	350.408
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1
SMILES	OpenEye OEToolkits	2.0.6	CC1(C=Cc2c(ccc(c2O1)C(=O)C=Cc3ccc(cc3)OC)OC)C
Canonical SMILES	CACTVS	3.385	COc1ccc(\C=C\C(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(cc3)OC)OC)C
InChI	InChI	1.03	InChI=1S/C22H22O4/c1-22(2)14-13-18-20(25-4)12-10-17(21(18)26-22)19(23)11-7-15-5-8-16(24-3)9-6-15/h5-14H,1-4H3/b11-7+
InChIKey	InChI	1.03	GZUOKKIDYHPTAZ-YRNVUSSQSA-N

Related Resource References

Resource Name	Reference
PubChem	66573474
ChEMBL	CHEMBL2041121

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