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75457-52-2

75457-52-2 | 8-Oxa-3,5-dithia-4-stannatetradecanoicacid,4-(3-butoxy-3-oxopropyl)-10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-,2-ethylhexyl ester

CAS No: 75457-52-2 Catalog No: AG005KQO MDL No:

Product Description

Catalog Number:
AG005KQO
Chemical Name:
8-Oxa-3,5-dithia-4-stannatetradecanoicacid,4-(3-butoxy-3-oxopropyl)-10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-,2-ethylhexyl ester
CAS Number:
75457-52-2
Molecular Formula:
C37H70O8S3Sn
Molecular Weight:
857.8429
IUPAC Name:
butyl 3-tris[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]stannylpropanoate
InChI:
InChI=1S/3C10H20O2S.C7H13O2.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-5-6-9-7(8)4-2;/h3*9,13H,3-8H2,1-2H3;2-6H2,1H3;/q;;;;+3/p-3
InChI Key:
PHBVTDBCMMRERU-UHFFFAOYSA-K
SMILES:
CCCCOC(=O)CC[Sn](SCC(=O)OCC(CCCC)CC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC
EC Number:
278-214-0

Properties

Complexity:
790  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
858.325g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
857.849g/mol
Monoisotopic Mass:
858.325g/mol
Rotatable Bond Count:
37  
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0

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