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Summary Geometry Related PDB entries

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Summary

Name:	[(2~{S})-2-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propyl] dihydrogen phosphite
Formula:	C28 H23 O5 P
Formal charge:	0
Formula weight:	470.453 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[(2~{S})-2-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propyl] dihydrogen phosphite

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C28H23O5P/c29-25(18-33-34(30)31)17-32-16-20-6-4-19(5-7-20)8-9-21-10-11-24-13-12-22-2-1-3-23-14-15-26(21)28(24)27(22)23/h1-7,10-15,25,29-31H,16-18H2/t25-/m0/s1
InChIKey	InChI	1.06	XBSOHNNZYGCRHJ-VWLOTQADSA-N
SMILES_CANONICAL	CACTVS	3.385	O[C@@H](COCc1ccc(cc1)C#Cc2ccc3ccc4cccc5ccc2c3c45)COP(O)O
SMILES	CACTVS	3.385	O[CH](COCc1ccc(cc1)C#Cc2ccc3ccc4cccc5ccc2c3c45)COP(O)O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COC[C@@H](COP(O)O)O
SMILES	OpenEye OEToolkits	2.0.7	c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COCC(COP(O)O)O

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건을2024-07-24부터공개중

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