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83833-27-6

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Basic Information
CAS No.: 83833-27-6
Name: decyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate
Molecular Structure:
Molecular Structure of 83833-27-6 (decyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate)
Formula: C50H100O4S2Sn
Molecular Weight: 948.17
Synonyms: Decyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate;Decyl 3-[(3-decoxy-3-oxo-propyl)sulfanyl-didodecyl-stannyl]sulfanylpropanoate;
EINECS: 281-002-0
Boiling Point: 816.4 °C at 760 mmHg
Flash Point: 447.6 °C
PSA: 103.20000
LogP: 17.88480
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  • 10-Oxa-4,6-dithia-5-stannaeicosanoicacid, 5,5-didodecyl-9-oxo-, decyl ester

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    83833-27-6

    10-Oxa-4,6-dithia-5-stannaeicosanoicacid, 5,5-didodecyl-9-oxo-, decyl ester

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  • decyl 3-[(3-decoxy-3-oxopropyl)sulfanyl-didodecylstannyl]sulfanylpropanoate

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    83833-27-6

    decyl 3-[(3-decoxy-3-oxopropyl)sulfanyl-didodecylstannyl]sulfanylpropanoate

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Specification

The 10-Oxa-4,6-dithia-5-stannaeicosanoicacid, 5,5-didodecyl-9-oxo-, decyl ester, with the CAS registry number 83833-27-6, is also known as Decyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate. Its EINECS number is 281-002-0. This chemical's molecular formula is C50H100O4S2Sn and molecular weight is 948.17. What's more, its IUPAC name is decyl 3-[(3-decoxy-3-oxopropyl)sulfanyl-didodecylstannyl]sulfanylpropanoate.

Physical properties of 10-Oxa-4,6-dithia-5-stannaeicosanoicacid, 5,5-didodecyl-9-oxo-, decyl ester are: (1)ACD/LogP: 27.34; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 27.34; (4)ACD/LogD (pH 7.4): 27.34; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 50; (8)Polar Surface Area: 103.2 Å2; (9)Flash Point: 447.6 °C; (10)Enthalpy of Vaporization: 118.67 kJ/mol; (11)Boiling Point: 816.4 °C at 760 mmHg; (12)Vapour Pressure: 9.67E-27 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC
(2)InChI: InChI=1S/2C13H26O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*16H,2-12H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2
(3)InChIKey: OGYQJYUEGRTCLN-UHFFFAOYSA-L