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84029-73-2 | 5,7,12-Trioxa-6-stannahexacosa-2,9-dienoicacid, 6-[[1,4-dioxo-4-(tetradecyloxy)-2-butenyl]oxy]-6-octyl-4,8,11-trioxo-,tetradecyl ester, (Z,Z,Z)- (9CI)
CAS No: 84029-73-2 Catalog No: AG004QF4 MDL No:
Product Description
Catalog Number:
AG004QF4
Chemical Name:
5,7,12-Trioxa-6-stannahexacosa-2,9-dienoicacid, 6-[[1,4-dioxo-4-(tetradecyloxy)-2-butenyl]oxy]-6-octyl-4,8,11-trioxo-,tetradecyl ester, (Z,Z,Z)- (9CI)
CAS Number:
84029-73-2
Molecular Formula:
C62H110O12Sn
Molecular Weight:
1166.2306
IUPAC Name:
4-O-[octyl-bis[(4-oxo-4-tetradecoxybut-2-enoyl)oxy]stannyl] 1-O-tetradecyl but-2-enedioate
InChI:
InChI=1S/3C18H32O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-5-7-8-6-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-8H2,2H3;/q;;;;+3/p-3
InChI Key:
AYYTVQVILHVSJM-UHFFFAOYSA-K
SMILES:
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC
EC Number:
281-742-4
Properties
Complexity:
1330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1166.702g/mol
Formal Charge:
0
Heavy Atom Count:
75
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1166.26g/mol
Monoisotopic Mass:
1166.702g/mol
Rotatable Bond Count:
61
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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