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Home > Nitro Compounds > 15081-82-0
15081-82-0 | Benzoic acid, 3,5-dinitro-, 1,1'-(dibutylstannylene) ester
CAS No: 15081-82-0 Catalog No: AG001MW0 MDL No:
Product Description
Catalog Number:
AG001MW0
Chemical Name:
Benzoic acid, 3,5-dinitro-, 1,1'-(dibutylstannylene) ester
CAS Number:
15081-82-0
Molecular Formula:
C22H24N4O12Sn
Molecular Weight:
655.1466
IUPAC Name:
[dibutyl-(3,5-dinitrobenzoyl)oxystannyl] 3,5-dinitrobenzoate
InChI:
InChI=1S/2C7H4N2O6.2C4H9.Sn/c2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;2*1-3-4-2;/h2*1-3H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChI Key:
KIJMRHRQSCGJST-UHFFFAOYSA-L
SMILES:
CCCC[Sn](OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])(OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CCCC
Properties
Complexity:
810
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
656.041g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
655.16g/mol
Monoisotopic Mass:
656.041g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
236A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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