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84029-77-6 | 5,7,12-Trioxa-6-stannahexacosa-2,9-dienoicacid, 6,6-dioctyl-4,8,11-trioxo-, tetradecyl ester, (Z,Z)- (9CI)
CAS No: 84029-77-6 Catalog No: AG004QF2 MDL No:
Product Description
Catalog Number:
AG004QF2
Chemical Name:
5,7,12-Trioxa-6-stannahexacosa-2,9-dienoicacid, 6,6-dioctyl-4,8,11-trioxo-, tetradecyl ester, (Z,Z)- (9CI)
CAS Number:
84029-77-6
Molecular Formula:
C52H96O8Sn
Molecular Weight:
968.0148
IUPAC Name:
4-O-[dioctyl-[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxystannyl] 1-O-tetradecyl (Z)-but-2-enedioate
InChI:
InChI=1S/2C18H32O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-5-7-8-6-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*15-14-;;;
InChI Key:
HXPRCVLFFFMBNP-POUCYOBESA-L
SMILES:
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)CCCCCCCC
EC Number:
281-747-1
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
968.613g/mol
Formal Charge:
0
Heavy Atom Count:
61
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
968.042g/mol
Monoisotopic Mass:
968.613g/mol
Rotatable Bond Count:
50
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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