3ID
Summary
Name: | 3H-INDOLE-5,6-DIOL |
Formula: | C8 H7 N O2 |
Formal charge: | 0 |
Formula weight: | 149.147 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 1H-indole-5,6-diol |
OpenEye OEToolkits | 1.5.0 | 1H-indole-5,6-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1cc2c(cc1O)ncc2 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc2[nH]ccc2cc1O |
SMILES | CACTVS | 3.341 | Oc1cc2[nH]ccc2cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1cc(c(c2)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1cc(c(c2)O)O |
InChI | InChI | 1.03 | InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H |
InChIKey | InChI | 1.03 | SGNZYJXNUURYCH-UHFFFAOYSA-N |