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Summary Geometry Related PDB entries

5DH

Summary

Name:	3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
Formula:	C21 H15 N O2
Formal charge:	0
Formula weight:	313.349 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
OpenEye OEToolkits	1.9.2	3,3-bis(4-hydroxyphenyl)-2-phenyl-prop-2-enenitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#C\C(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3ccccc3
InChI	InChI	1.03	InChI=1S/C21H15NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H
InChIKey	InChI	1.03	PMKMHLVHNOXPOY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(cc1)C(c2ccc(O)cc2)=C(C#N)c3ccccc3
SMILES	CACTVS	3.385	Oc1ccc(cc1)C(c2ccc(O)cc2)=C(C#N)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N

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