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Home > Nitro Compounds > 15089-91-5
15089-91-5 | Distannoxane, 1,1,3,3-tetrabutyl-1,3-bis[(3-nitrobenzoyl)oxy]- (9CI)
CAS No: 15089-91-5 Catalog No: AG001MXQ MDL No:
Product Description
Catalog Number:
AG001MXQ
Chemical Name:
Distannoxane, 1,1,3,3-tetrabutyl-1,3-bis[(3-nitrobenzoyl)oxy]- (9CI)
CAS Number:
15089-91-5
Molecular Formula:
C30H44N2O9Sn2
Molecular Weight:
814.0804
IUPAC Name:
[dibutyl-[dibutyl-(3-nitrobenzoyl)oxystannyl]oxystannyl] 3-nitrobenzoate
InChI:
InChI=1S/2C7H5NO4.4C4H9.O.2Sn/c2*9-7(10)5-2-1-3-6(4-5)8(11)12;4*1-3-4-2;;;/h2*1-4H,(H,9,10);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChI Key:
MXRNYXOPDJORJZ-UHFFFAOYSA-L
SMILES:
CCCC[Sn](O[Sn](OC(=O)c1cccc(c1)[N+](=O)[O-])(CCCC)CCCC)(OC(=O)c1cccc(c1)[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:
814.108g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
814.107g/mol
Monoisotopic Mass:
816.109g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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