MKO

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]

Created: 2022-07-27
Last modified:  2023-09-23

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count34
Aromatic Bond Count12
2D diagram of MKO
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Chemical Component Summary

Name8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]
Systematic Name (OpenEye OEToolkits)2,2'-dimethyl-8,8-bis(oxidanidyl)-8,8'-spirobi[7,9-dioxa-3-oxonia-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]
FormulaC12 H10 O8 V
Molecular Weight333.145
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1[o+]ccc2O[V]3([O-])([O-])(Oc4cc[o+]c(C)c4O3)Oc12
SMILESOpenEye OEToolkits2.0.7Cc1c2c(cc[o+]1)O[V]3(O2)(Oc4cc[o+]c(c4O3)C)([O-])[O-]
Canonical SMILESCACTVS3.385 Cc1[o+]ccc2O[V]3([O-])([O-])(Oc4cc[o+]c(C)c4O3)Oc12
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c2c(cc[o+]1)O[V]3(O2)(Oc4cc[o+]c(c4O3)C)([O-])[O-]
InChIInChI1.06 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
InChIKeyInChI1.06 KTNYRVZCCOTYPZ-UHFFFAOYSA-L