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DNP-Li

CAT: 0127-OR1078389-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1078389-01Size:100 mg
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CAS Number
1882849-59-3
Synonyms
Lithium 5,7,12,14-Tetraoxo-5,7,12,14-tetrahydrodibenzo[b, i]thianthrene-1,4,8,11-tetrakis (olate) / 1,4,8,11-Tetrahydroxydibenzo[b, i]thianthrene-5,7,12,14-tetrone Tetralithium Salt
Purity
≥95%
Smiles
[Li+].[Li+].[Li+].[Li+].C1=CC (=O) C2=C (C3=C (C (=O) C2=C1[O-]) SC4=C (S3) C (=C5C (=O) C=CC (=C5C4=O) [O-]) [O-]) [O-]

Chemical Information

Tetralithium;6,11,15,20-tetraoxo-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,7,9,16,18,21-octaene-4,9,17,22-tetrolate
CAS Number1882849-59-3
PubChem CID132607942
IUPAC Nametetralithium;6,11,15,20-tetraoxo-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,7,9,16,18,21-octaene-4,9,17,22-tetrolate
Molecular FormulaC20H4Li4O8S2
Molecular Weight464.2
Topological Polar Surface Area211
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Heavy Atom Count34
Formal Charge0
Complexity1140
SMILES
[Li+].[Li+].[Li+].[Li+].C1=CC(=O)C2=C(C3=C(C(=O)C2=C1[O-])SC4=C(S3)C(=C5C(=O)C=CC(=C5C4=O)[O-])[O-])[O-]
InChI
InChI=1S/C20H8O8S2.4Li/c21-5-1-2-6(22)10-9(5)13(25)17-18(14(10)26)30-20-16(28)12-8(24)4-3-7(23)11(12)15(27)19(20)29-17;;;;/h1-4,21,23,26,28H;;;;/q;4*+1/p-4
InChIKey
MGVWUTQYTXAOLP-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Tetralithium;6,11,15,20-tetraoxo-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,7,9,16,18,21-octaene-4,9,17,22-tetrolate
CAS: 1882849-59-3
CID: 132607942
Formula: C20H4Li4O8S2
MW: 464.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass463.9987732
Monoisotopic Mass463.9987732
Topological Polar Surface Area211 Ų
Heavy Atom Count34
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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