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84029-72-1

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Basic Information
CAS No.: 84029-72-1
Name: dodecyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate
Molecular Structure:
Molecular Structure of 84029-72-1 (dodecyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate)
Formula: C56H104O8Sn
Molecular Weight: 1024.13
Synonyms: 5,7,12-Trioxa-6-stannatetracosa-2,9-dienoicacid, 6,6-didodecyl-4,8,11-trioxo-, dodecyl ester, (2Z,9Z)- (9CI);5,7,12-Trioxa-6-stannatetracosa-2,9-dienoic acid, 6,6-didodecyl-4,8,11-trioxo-,dodecyl ester, (Z,Z)-;Dilauryltin bis(lauryl maleate);4-O-[[(Z)-4-Dodecoxy-4-oxobut-2-enoyl]oxy-didodecylstannyl] 1-O-dodecyl (Z)-but-2-enedioate;Dodecyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate;
EINECS: 281-741-9
Boiling Point: 847.9 °C at 760 mmHg
Flash Point: 466.6 °C
PSA: 132.86000
LogP: 14.61520
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  • 2-Butenedioic acid(2Z)-, 1,1'-(didodecylstannylene) 4,4'-didodecyl ester

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    84029-72-1

    2-Butenedioic acid(2Z)-, 1,1'-(didodecylstannylene) 4,4'-didodecyl ester

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Specification

The 2-Butenedioic acid(2Z)-, 1,1'-(didodecylstannylene) 4,4'-didodecyl ester, with the CAS registry number 84029-72-1, is also known as Dodecyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate. Its EINECS number is 281-741-9. This chemical's molecular formula is C56H104O8Sn and molecular weight is 1024.13. What's more, its IUPAC name is 4-O-[[(Z)-4-dodecoxy-4-oxobut-2-enoyl]oxy-didodecylstannyl] 1-O-dodecyl (Z)-but-2-enedioate.

Physical properties of 2-Butenedioic acid(2Z)-, 1,1'-(didodecylstannylene) 4,4'-didodecyl ester are: (1)ACD/LogP: 27.15; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 27.15; (4)ACD/LogD (pH 7.4): 27.15; (5)#H bond acceptors: 8; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 54; (8)Polar Surface Area: 105.2 Å2; (9)Flash Point: 466.6 °C; (10)Enthalpy of Vaporization: 123.21 kJ/mol; (11)Boiling Point: 847.9 °C at 760 mmHg; (12)Vapour Pressure: 5.02E-29 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOC(=O)C=CC(=O)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(=O)C=CC(=O)OCCCCCCCCCCCC
(2)Isomeric SMILES: CCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
(3)InChI: InChI=1S/2C16H28O4.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*12-13H,2-11,14H2,1H3,(H,17,18);2*1,3-12H2,2H3;/q;;;;+2/p-2/b2*13-12-;;;
(4)InChIKey: DETMVBCKVFEAAM-NUJFUEHTSA-L