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84030-46-6 | 8-Oxa-3,5-dithia-4-stannaoctadecanoicacid, 4-butyl-4-[[2-(decyloxy)-2-oxoethyl]thio]-7-oxo-, decyl ester
CAS No: 84030-46-6 Catalog No: AG004Q5L MDL No:
Product Description
Catalog Number:
AG004Q5L
Chemical Name:
8-Oxa-3,5-dithia-4-stannaoctadecanoicacid, 4-butyl-4-[[2-(decyloxy)-2-oxoethyl]thio]-7-oxo-, decyl ester
CAS Number:
84030-46-6
Molecular Formula:
C40H78O6S3Sn
Molecular Weight:
869.9397
IUPAC Name:
decyl 2-[butyl-bis[(2-decoxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
InChI:
InChI=1S/3C12H24O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;1-3-4-2;/h3*15H,2-11H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChI Key:
AGYCYDHXDUHLQZ-UHFFFAOYSA-K
SMILES:
CCCC[Sn](SCC(=O)OCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC
EC Number:
281-820-8
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
870.398g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
869.948g/mol
Monoisotopic Mass:
870.398g/mol
Rotatable Bond Count:
42
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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