3GQ
Summary
Name: | benzene-1,2,3-tricarboxylic acid |
Formula: | C9 H6 O6 |
Formal charge: | 0 |
Formula weight: | 210.14 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | benzene-1,2,3-tricarboxylic acid |
OpenEye OEToolkits | 1.7.6 | benzene-1,2,3-tricarboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(C(=O)O)c1C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15) |
InChIKey | InChI | 1.03 | UJMDYLWCYJJYMO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(C(O)=O)c1C(O)=O |
SMILES | CACTVS | 3.385 | OC(=O)c1cccc(C(O)=O)c1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O |