PIT
Summary
| Name: | PICEATANNOL |
| Synonyms: | 4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL |
| Formula: | C14 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 244.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | 5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc2ccc(\C=C\c1cc(O)cc(O)c1)cc2O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1 |
| SMILES | CACTVS | 3.341 | Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+ |
| InChIKey | InChI | 1.03 | CDRPUGZCRXZLFL-OWOJBTEDSA-N |
