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Tris (Triphenylsiloxy) Vanadium Oxide

CAT: 0127-IN11966-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-IN11966-01Size:100 mg
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CAS Number
18822-50-9
Synonyms
Hydroxy (triphenyl) silane; oxovanadium
Purity
95%
Smiles
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)O.O=[V]

Chemical Information

Triphenylsilanol--oxovanadium (3/1)
CAS Number18822-50-9
PubChem CID336296
IUPAC Nametris(hydroxy(triphenyl)silane);oxovanadium
Molecular FormulaC54H48O4Si3V
Molecular Weight896.1
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count62
Formal Charge0
Complexity891
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)O.O=[V]
InChI
InChI=1S/3C18H16OSi.O.V/c3*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15,19H;;
InChIKey
NTKZUWDMQWHMBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triphenylsilanol--oxovanadium (3/1)
CAS: 18822-50-9
CID: 336296
Formula: C54H48O4Si3V
MW: 896.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight896.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass895.229997
Monoisotopic Mass895.229997
Topological Polar Surface Area77.8 Ų
Heavy Atom Count62
Formal Charge0
Complexity891
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes