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83833-26-5 | 10-Oxa-4,6-dithia-5-stannaeicosanoicacid, 5,5-dioctyl-9-oxo-, decyl ester
CAS No: 83833-26-5 Catalog No: AG004S6C MDL No:
Product Description
Catalog Number:
AG004S6C
Chemical Name:
10-Oxa-4,6-dithia-5-stannaeicosanoicacid, 5,5-dioctyl-9-oxo-, decyl ester
CAS Number:
83833-26-5
Molecular Formula:
C42H84O4S2Sn
Molecular Weight:
835.9450
IUPAC Name:
decyl 3-[(3-decoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate
InChI:
InChI=1S/2C13H26O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;2*1-3-5-7-8-6-4-2;/h2*16H,2-12H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChI Key:
HJGSUQJMSAOJKO-UHFFFAOYSA-L
SMILES:
CCCCCCCC[Sn](SCCC(=O)OCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)CCCCCCCC
EC Number:
281-001-5
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
836.483g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
835.96g/mol
Monoisotopic Mass:
836.483g/mol
Rotatable Bond Count:
42
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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