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Summary Geometry Related PDB entries

5C8

Summary

Name:	4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol
Formula:	C25 H20 O2
Formal charge:	0
Formula weight:	352.425 Da
Component type:	NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C/C(c1cc2c(cc1)cccc2)=C(/c3ccc(cc3)O)c4ccc(O)cc4
InChI	InChI	1.03	InChI=1S/C25H20O2/c1-17(21-7-6-18-4-2-3-5-22(18)16-21)25(19-8-12-23(26)13-9-19)20-10-14-24(27)15-11-20/h2-16,26-27H,1H3
InChIKey	InChI	1.03	ZLQRWQFKXZMTRR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(c1ccc2ccccc2c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
SMILES	CACTVS	3.385	CC(c1ccc2ccccc2c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3
SMILES	OpenEye OEToolkits	1.9.2	CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3

223532

PDB entries from 2024-08-07

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