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84712-70-9 | 2,7,9-Trioxa-8-stannatrideca-4,11-dien-13-oicacid, 8-dodecyl-8-[(4-methoxy-1,4-dioxo-2-butenyl)oxy]-3,6,10-trioxo-, methylester, (Z,Z,Z)- (9CI)
CAS No: 84712-70-9 Catalog No: AG004SN0 MDL No:
Product Description
Catalog Number:
AG004SN0
Chemical Name:
2,7,9-Trioxa-8-stannatrideca-4,11-dien-13-oicacid, 8-dodecyl-8-[(4-methoxy-1,4-dioxo-2-butenyl)oxy]-3,6,10-trioxo-, methylester, (Z,Z,Z)- (9CI)
CAS Number:
84712-70-9
Molecular Formula:
C27H40O12Sn
Molecular Weight:
675.3003
IUPAC Name:
4-O-[dodecyl-bis[(4-methoxy-4-oxobut-2-enoyl)oxy]stannyl] 1-O-methyl but-2-enedioate
InChI:
InChI=1S/C12H25.3C5H6O4.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-9-5(8)3-2-4(6)7;/h1,3-12H2,2H3;3*2-3H,1H3,(H,6,7);/q;;;;+3/p-3
InChI Key:
PHXQJWFRWVXDMN-UHFFFAOYSA-K
SMILES:
CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OC)(OC(=O)/C=C\C(=O)OC)OC(=O)/C=C\C(=O)OC
EC Number:
283-760-8
Properties
Complexity:
825
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
676.154g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
675.315g/mol
Monoisotopic Mass:
676.154g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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