(Q82866323)

English

5,7,12-Trioxa-6-stannatriaconta-2,9,21-trienoic acid, 6,6-dioctyl-4,8,11-trioxo-, (9Z)-9-octadecen-1-yl ester, (21Z)-

group of stereoisomers with the chemical formula C₆₀H₁₀₈O₈Sn

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,076.706615116 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₆₀H₁₀₈O₈Sn

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)C=CC(=O)[O-].CCCCCCCC/C=C\CCCCCCCCOC(=O)C=CC(=O)[O-].[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn+2]

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)C=CC(=O)[O-].CCCCCCCC/C=C\CCCCCCCCOC(=O)C=CC(=O)[O-].[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn+2]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/2C22H38O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-5-7-8-6-4-2;/h2*9-10,18-19H,2-8,11-17,20H2,1H3,(H,23,24);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*10-9-,19-18?;;;

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InChIKey

KCSPFIQERARSIT-KCJKCCLDSA-L

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CAS Registry Number

68538-86-3

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InChIKey

KCSPFIQERARSIT-KCJKCCLDSA-L

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=68538-86-3

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26 December 2021

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DSSTOX compound identifier

DTXCID201026546

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(Q82866323)

5,7,12-Trioxa-6-stannatriaconta-2,9,21-trienoic acid, 6,6-dioctyl-4,8,11-trioxo-, (9Z)-9-octadecen-1-yl ester, (21Z)-

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