DWC

PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX

Created:2008-01-18
Last modified:  2023-09-23

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Chemical Details

Formal Charge2
Atom Count40
Chiral Atom Count0
Bond Count50
Aromatic Bond Count20
2D diagram of DWC

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Chemical Component Summary

NamePYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX
FormulaC23 H9 N3 O4 Os
Molecular Weight581.565
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Oc1ccc2n3[Os](C#[O+])[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45.C7C=CC=C7
SMILESOpenEye OEToolkits2.0.7c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O
Canonical SMILESCACTVS3.385 Oc1ccc2n3[Os](C#[O+])[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45.C7C=CC=C7
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O
InChIInChI1.06 InChI=1S/C17H9N3O3.C5H.CO.Os/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2-4-5-3-1;1-2;/h1-6H,(H3,18,19,20,21,22,23);1H;;/q;;+1;+2/p-1
InChIKeyInChI1.06 PAWFNOQPRXIUSH-UHFFFAOYSA-M