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85938-40-5 | ISOPROPYL (Z,Z)-2-METHYL-9,9-DIOCTYL-4,7,11-TRIOXO-3,8,10-TRIOXA-9-STANNATETRADECA-5,12-DIEN-14-OATE
CAS No: 85938-40-5 Catalog No: AG004QLX MDL No:
Product Description
Catalog Number:
AG004QLX
Chemical Name:
ISOPROPYL (Z,Z)-2-METHYL-9,9-DIOCTYL-4,7,11-TRIOXO-3,8,10-TRIOXA-9-STANNATETRADECA-5,12-DIEN-14-OATE
CAS Number:
85938-40-5
Molecular Formula:
C30H52O8Sn
Molecular Weight:
659.4301
IUPAC Name:
4-O-[dioctyl-[(Z)-4-oxo-4-propan-2-yloxybut-2-enoyl]oxystannyl] 1-O-propan-2-yl (Z)-but-2-enedioate
InChI:
InChI=1S/2C8H17.2C7H10O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-5(2)11-7(10)4-3-6(8)9;/h2*1,3-8H2,2H3;2*3-5H,1-2H3,(H,8,9);/q;;;;+2/p-2/b;;2*4-3-;
InChI Key:
PNULSRPGOXFEHF-DERJAXIWSA-L
SMILES:
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OC(C)C)(OC(=O)/C=C\C(=O)OC(C)C)CCCCCCCC
EC Number:
288-874-1
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
660.268g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
659.448g/mol
Monoisotopic Mass:
660.268g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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