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Reference substances

Reference substances

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General information

Inventory

EC number:
268-500-3
EC name:
Ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate
CAS number:
68109-88-6

No inventory information available

Reference substance information

IUPAC name:
1-{[(2E)-4-ethoxy-4-oxobut-2-enoyl]oxy}dioctylstannyl 4-ethyl (2E)-but-2-enedioate
Synonyms
Names:
3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oic acid, 9,9-dioctyl-4,7,11-trioxo-, ethyl ester
Identifier:
IUPAC name
ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate
ethyl (Z,Z)- 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

CAS information

CAS number:
68109-88-6

Molecular and structural information

Molecular formula:
C28H48O8Sn
Molecular weight:
631.386
SMILES notation:
O=C(O[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCC)CCCCCCCC)C=CC(=O)OCC
InChl:
InChI=1/2C8H17.2C6H8O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-8H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/rC28H48O8Sn/c1-5-9-11-13-15-17-23-37(24-18-16-14-12-10-6-2,35-27(31)21-19-25(29)33-7-3)36-28(32)22-20-26(30)34-8-4/h19-22H,5-18,23-24H2,1-4H3
Structural formula:
Chemical structure