| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC=1OC=CC2=[O+][V]3([OH2])(=O)(OC=12)OC1=C(C)OC=CC1=[O+]3 |
| InChI | InChI | 1.06 | InChI=1S/2C6H6O3.H2O.O.V/c2*1-4-6(8)5(7)2-3-9-4;;;/h2*2-3,8H,1H3;1H2;;/q;;;;+4/p-2 |
| InChIKey | InChI | 1.06 | PNQFKIZCUVFEEJ-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | O.CC1=C2O[V]3(=O)(OC4=C(C)OC=CC4=[O+]3)[O+]=C2C=CO1 |
| SMILES | CACTVS | 3.385 | O.CC1=C2O[V]3(=O)(OC4=C(C)OC=CC4=[O+]3)[O+]=C2C=CO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1=C2C(=[O+][V]3(=O)(O2)(OC4=C(OC=CC4=[O+]3)C)[OH2])C=CO1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1=C2C(=[O+][V]3(=O)(O2)(OC4=C(OC=CC4=[O+]3)C)[OH2])C=CO1 |
