3TI
Summary
| Name: | 1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol |
| Formula: | C17 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 263.291 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol |
| OpenEye OEToolkits | 1.7.2 | 1-[(E)-(4-hydroxyphenyl)iminomethyl]naphthalen-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc3ccc(\N=C\c1c2c(ccc1O)cccc2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H13NO2/c19-14-8-6-13(7-9-14)18-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,19-20H/b18-11+ |
| InChIKey | InChI | 1.03 | KPLUVIWNJYXFQT-WOJGMQOQSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(cc1)N=Cc2c(O)ccc3ccccc23 |
| SMILES | CACTVS | 3.370 | Oc1ccc(cc1)N=Cc2c(O)ccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)ccc(c2C=Nc3ccc(cc3)O)O |
