CZM
'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE'
Created: | 2003-01-30 |
Last modified: | 2021-03-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 46 |
Chiral Atom Count | 0 |
Bond Count | 48 |
Aromatic Bond Count | 18 |
Chemical Component Summary | |
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Name | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE' |
Synonyms | 3,3'-ME2-SALOPHEN |
Systematic Name (OpenEye OEToolkits) | 2-[(E)-[2-[(2-hydroxy-3-methyl-phenyl)methylideneamino]phenyl]iminomethyl]-6-methyl-phenol |
Formula | C22 H20 N2 O2 |
Molecular Weight | 344.406 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc3c(/C=N/c2ccccc2/N=C/c1cccc(c1O)C)cccc3C |
SMILES | CACTVS | 3.341 | Cc1cccc(C=Nc2ccccc2N=Cc3cccc(C)c3O)c1O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1O)C=Nc2ccccc2N=Cc3cccc(c3O)C |
Canonical SMILES | CACTVS | 3.341 | Cc1cccc(C=Nc2ccccc2N=Cc3cccc(C)c3O)c1O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(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 |
Related Resource References
Resource Name | Reference |
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CCDC/CSD | JEVREI |
COD | 2212163 |