MKO
Summary
| Name: | 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene] |
| Formula: | C12 H10 O8 V |
| Formal charge: | 0 |
| Formula weight: | 333.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,2'-dimethyl-8,8-bis(oxidanidyl)-8,8'-spirobi[7,9-dioxa-3-oxonia-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene] |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/2C6H6O3.2O.V/c2*1-4-6(8)5(7)2-3-9-4;;;/h2*2-3H,1H3,(H-,7,8);;;/q;;2*-1;+4/p-2 |
| InChIKey | InChI | 1.06 | KTNYRVZCCOTYPZ-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[o+]ccc2O[V]3([O-])([O-])(Oc4cc[o+]c(C)c4O3)Oc12 |
| SMILES | CACTVS | 3.385 | Cc1[o+]ccc2O[V]3([O-])([O-])(Oc4cc[o+]c(C)c4O3)Oc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(cc[o+]1)O[V]3(O2)(Oc4cc[o+]c(c4O3)C)([O-])[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(cc[o+]1)O[V]3(O2)(Oc4cc[o+]c(c4O3)C)([O-])[O-] |
