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84029-80-1 | 3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oicacid, 9-butyl-9-[(4-ethoxy-1,4-dioxo-2-butenyl)oxy]-4,7,11-trioxo-, ethylester, (Z,Z,Z)- (9CI)
CAS No: 84029-80-1 Catalog No: AG0051QS MDL No:
Product Description
Catalog Number:
AG0051QS
Chemical Name:
3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oicacid, 9-butyl-9-[(4-ethoxy-1,4-dioxo-2-butenyl)oxy]-4,7,11-trioxo-, ethylester, (Z,Z,Z)- (9CI)
CAS Number:
84029-80-1
Molecular Formula:
C22H30O12Sn
Molecular Weight:
605.1674
IUPAC Name:
4-O-[butyl-bis[[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxy]stannyl] 1-O-ethyl (Z)-but-2-enedioate
InChI:
InChI=1S/3C6H8O4.C4H9.Sn/c3*1-2-10-6(9)4-3-5(7)8;1-3-4-2;/h3*3-4H,2H2,1H3,(H,7,8);1,3-4H2,2H3;/q;;;;+3/p-3/b3*4-3-;;
InChI Key:
RVSLCHMIGMLDMI-KJVLTGTBSA-K
SMILES:
CCCC[Sn](OC(=O)/C=C\C(=O)OCC)(OC(=O)/C=C\C(=O)OCC)OC(=O)/C=C\C(=O)OCC
EC Number:
281-750-8
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
606.076g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
605.18g/mol
Monoisotopic Mass:
606.076g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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