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85938-46-1 | (Z,Z)-1,1,3,3-TETRAOCTYL-1,3-BIS[(1-OXOOCTADEC-9-ENYL)OXY]DISTANNOXANE
CAS No: 85938-46-1 Catalog No: AG004MSJ MDL No:
Product Description
Catalog Number:
AG004MSJ
Chemical Name:
(Z,Z)-1,1,3,3-TETRAOCTYL-1,3-BIS[(1-OXOOCTADEC-9-ENYL)OXY]DISTANNOXANE
CAS Number:
85938-46-1
Molecular Formula:
C68H134O5Sn2
Molecular Weight:
1269.1906
IUPAC Name:
[[[(Z)-octadec-9-enoyl]oxy-dioctylstannyl]oxy-dioctylstannyl] (Z)-octadec-9-enoate
InChI:
InChI=1S/2C18H34O2.4C8H17.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-5-7-8-6-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2/b2*10-9-;;;;;;;
InChI Key:
ISZCRZBMOAPRAY-MNHRHIJMSA-L
SMILES:
CCCCCCCC[Sn](O[Sn](OC(=O)CCCCCCC/C=C\CCCCCCCC)(CCCCCCCC)CCCCCCCC)(OC(=O)CCCCCCC/C=C\CCCCCCCC)CCCCCCCC
EC Number:
288-880-4
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
1268.827g/mol
Formal Charge:
0
Heavy Atom Count:
75
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1269.235g/mol
Monoisotopic Mass:
1270.828g/mol
Rotatable Bond Count:
64
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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