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Summary Geometry Related PDB entries

CZM

Summary

Name:	'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE'
Synonyms:	3,3'-ME2-SALOPHEN
Formula:	C22 H20 N2 O2
Formal charge:	0
Formula weight:	344.406 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2,2'-{benzene-1,2-diylbis[nitrilo(E)methylylidene]}bis(6-methylphenol)
OpenEye OEToolkits	1.5.0	2-[(E)-[2-[(2-hydroxy-3-methyl-phenyl)methylideneamino]phenyl]iminomethyl]-6-methyl-phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc3c(/C=N/c2ccccc2/N=C/c1cccc(c1O)C)cccc3C
SMILES_CANONICAL	CACTVS	3.341	Cc1cccc(C=Nc2ccccc2N=Cc3cccc(C)c3O)c1O
SMILES	CACTVS	3.341	Cc1cccc(C=Nc2ccccc2N=Cc3cccc(C)c3O)c1O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C
SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(c1O)C=Nc2ccccc2N=Cc3cccc(c3O)C
InChI	InChI	1.03	InChI=1S/C22H20N2O2/c1-15-7-5-9-17(21(15)25)13-23-19-11-3-4-12-20(19)24-14-18-10-6-8-16(2)22(18)26/h3-14,25-26H,1-2H3/b23-13+,24-14+
InChIKey	InChI	1.03	DNVUYVBRNCWGAK-RNIAWFEPSA-N

227111

數據於2024-11-06公開中

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