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Summary Geometry Related PDB entries

5HZ

Summary

Name:	4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol
Formula:	C22 H24 O2
Formal charge:	0
Formula weight:	320.425 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol
OpenEye OEToolkits	1.9.2	4-[9-bicyclo[3.3.1]nonanylidene-(4-hydroxyphenyl)methyl]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1CCC\2CCCC1C/2=C(/c3ccc(O)cc3)c4ccc(cc4)O
InChI	InChI	1.03	InChI=1S/C22H24O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)21-15-3-1-4-16(21)6-2-5-15/h7-16,23-24H,1-6H2/t15-,16+
InChIKey	InChI	1.03	HKDFNAQPYYZDPP-IYBDPMFKSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(cc1)[C](c2ccc(O)cc2)=[C]3C4C[CH2]CC3CCC4
SMILES	CACTVS	3.385	Oc1ccc(cc1)[C](c2ccc(O)cc2)=[C]3C4C[CH2]CC3CCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O

223532

PDB entries from 2024-08-07

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