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Summary Geometry Related PDB entries

5C7

Summary

Name:	4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol
Formula:	C25 H26 O2
Formal charge:	0
Formula weight:	358.473 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol
OpenEye OEToolkits	1.9.2	4-[2-(4-tert-butylphenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C/C(c1ccc(cc1)C(C)(C)C)=C(/c2ccc(cc2)O)c3ccc(O)cc3
InChI	InChI	1.03	InChI=1S/C25H26O2/c1-17(18-5-11-21(12-6-18)25(2,3)4)24(19-7-13-22(26)14-8-19)20-9-15-23(27)16-10-20/h5-16,26-27H,1-4H3
InChIKey	InChI	1.03	CLHRGZJEUJPOLB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(c1ccc(cc1)C(C)(C)C)=C(c2ccc(O)cc2)c3ccc(O)cc3
SMILES	CACTVS	3.385	CC(c1ccc(cc1)C(C)(C)C)=C(c2ccc(O)cc2)c3ccc(O)cc3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C
SMILES	OpenEye OEToolkits	1.9.2	CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C

224201

건을2024-08-28부터공개중

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