6PP
Summary
| Name: | 3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol |
| Formula: | C12 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 192.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol |
| OpenEye OEToolkits | 1.7.2 | 3-[(Z)-3-methylpent-2-enyl]benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1c(cccc1O)C/C=C(/C)CC |
| InChI | InChI | 1.03 | InChI=1S/C12H16O2/c1-3-9(2)7-8-10-5-4-6-11(13)12(10)14/h4-7,13-14H,3,8H2,1-2H3/b9-7- |
| InChIKey | InChI | 1.03 | HZIMMWSOLFBHHZ-CLFYSBASSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(\C)=C/Cc1cccc(O)c1O |
| SMILES | CACTVS | 3.370 | CCC(C)=CCc1cccc(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC/C(=C\Cc1cccc(c1O)O)/C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCC(=CCc1cccc(c1O)O)C |
