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84030-42-2 | 8-Oxa-3,5-dithia-4-stannaoctadecanoicacid, 4,4-didodecyl-7-oxo-, decyl ester
CAS No: 84030-42-2 Catalog No: AG004U7Q MDL No:
Product Description
Catalog Number:
AG004U7Q
Chemical Name:
8-Oxa-3,5-dithia-4-stannaoctadecanoicacid, 4,4-didodecyl-7-oxo-, decyl ester
CAS Number:
84030-42-2
Molecular Formula:
C48H96O4S2Sn
Molecular Weight:
920.1044
IUPAC Name:
decyl 2-[(2-decoxy-2-oxoethyl)sulfanyl-didodecylstannyl]sulfanylacetate
InChI:
InChI=1S/2C12H24O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*15H,2-11H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2
InChI Key:
DSZRMMSYVNJDKA-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCC[Sn](SCC(=O)OCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)CCCCCCCCCCCC
EC Number:
281-816-6
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
920.577g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
920.122g/mol
Monoisotopic Mass:
920.577g/mol
Rotatable Bond Count:
48
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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