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84030-41-1 | 8-Oxa-3,5-dithia-4-stannaeicosanoicacid, 4-dodecyl-4-[[2-(dodecyloxy)-2-oxoethyl]thio]-7-oxo-, dodecyl ester
CAS No: 84030-41-1 Catalog No: AG004QER MDL No:
Product Description
Catalog Number:
AG004QER
Chemical Name:
8-Oxa-3,5-dithia-4-stannaeicosanoicacid, 4-dodecyl-4-[[2-(dodecyloxy)-2-oxoethyl]thio]-7-oxo-, dodecyl ester
CAS Number:
84030-41-1
Molecular Formula:
C54H106O6S3Sn
Molecular Weight:
1066.3118
IUPAC Name:
dodecyl 2-[bis[(2-dodecoxy-2-oxoethyl)sulfanyl]-dodecylstannyl]sulfanylacetate
InChI:
InChI=1S/3C14H28O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-5-7-9-11-12-10-8-6-4-2;/h3*17H,2-13H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3
InChI Key:
WIXUEKAUCXJWIL-UHFFFAOYSA-K
SMILES:
CCCCCCCCCCCC[Sn](SCC(=O)OCCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC
EC Number:
281-815-0
Properties
Complexity:
901
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1066.617g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1066.326g/mol
Monoisotopic Mass:
1066.617g/mol
Rotatable Bond Count:
56
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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