(Tetra-t-butylphthalocyaninato)oxovanadium(iv)

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CAS
95865-59-1
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96%
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Catalog Number

ACM95865591

Product Name

(Tetra-t-butylphthalocyaninato)oxovanadium(iv)

Structure

CAS

95865-59-1

What is the molecular formula of (Tetra-t-butylphthalocyaninato)oxovanadium(iv)?

The molecular formula is C48H48N8OV.

What is the PubChem CID of (Tetra-t-butylphthalocyaninato)oxovanadium(iv)?

The PubChem CID is 90477788.

What is the molecular weight of (Tetra-t-butylphthalocyaninato)oxovanadium(iv)?

The molecular weight is 803.9 g/mol.

What is the IUPAC name of (Tetra-t-butylphthalocyaninato)oxovanadium(iv)?

The IUPAC name is oxovanadium(2+);6,15,24,33-tetratert-butyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.1 3,10 .1 12,19 .1 21,28 .0 4,9 .0 13,18 .0 22,27 .0 31,36 ]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

What is the InChI of (Tetra-t-butylphthalocyaninato)oxovanadium(iv)?

The InChI is InChI=1S/C48H48N8.O.V/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;;/h13-24H,1-12H3;;/q-2;;+2.

What is the InChIKey of (Tetra-t-butylphthalocyaninato)oxovanadium(iv)?

The InChIKey is CKUPBCXMARMBAE-UHFFFAOYSA-N.

What is the canonical SMILES of (Tetra-t-butylphthalocyaninato)oxovanadium(iv)?

The canonical SMILES is CC(C)(C)C1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)C(C)(C)C)C(=N7)N=C2[N-]3)C(C)(C)C)C9=C4C=C(C=C9)C(C)(C)C.O=[V+2].