QW8
naphthalene-1,3,6,8-tetrol
Created: | 2023-08-30 |
Last modified: | 2024-03-13 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
---|---|
Name | naphthalene-1,3,6,8-tetrol |
Synonyms | 1,3,6,8-tetrahydroxynaphthalene |
Systematic Name (OpenEye OEToolkits) | naphthalene-1,3,6,8-tetrol |
Formula | C10 H8 O4 |
Molecular Weight | 192.168 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Oc1cc(O)c2c(O)cc(O)cc2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c2cc(cc(c2c(cc1O)O)O)O |
Canonical SMILES | CACTVS | 3.385 | Oc1cc(O)c2c(O)cc(O)cc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1c2cc(cc(c2c(cc1O)O)O)O |
InChI | InChI | 1.06 | InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H |
InChIKey | InChI | 1.06 | BCMKHWMDTMUUSI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 440202 |
ChEBI | CHEBI:18365 |