5DJ

4,4'-(2-phenylethene-1,1-diyl)diphenol

Created:	2015-09-09
Last modified:	2016-05-04

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1 entries where 5DJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	18

2D diagram of 5DJ

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Chemical Component Summary
Name	4,4'-(2-phenylethene-1,1-diyl)diphenol
Systematic Name (OpenEye OEToolkits)	4-[1-(4-hydroxyphenyl)-2-phenyl-ethenyl]phenol
Formula	C₂₀ H₁₆ O₂
Molecular Weight	288.34
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(ccc(c1)O)C(c2ccc(O)cc2)=[C@H]c3ccccc3
SMILES	CACTVS	3.385	Oc1ccc(cc1)C(=Cc2ccccc2)c3ccc(O)cc3
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)C(=Cc2ccccc2)c3ccc(O)cc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O
InChI	InChI	1.03	InChI=1S/C20H16O2/c21-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(22)13-9-17/h1-14,21-22H
InChIKey	InChI	1.03	CKNFKDYCAQZYBQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3017674
ChEMBL	CHEMBL415864

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