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Reference substances

Reference substances

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General information

Inventory

EC number:
234-186-1
EC name:
2-ethylhexyl 4,4-dibutyl-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate
CAS number:
10584-98-2

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Reference substance information

IUPAC name:
2-ethylhexyl 2-{[dibutyl({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)stannyl]sulfanyl}acetate
Synonyms
Names:
8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 4,4-dibutyl-10-ethyl-7-oxo-, 2-ethylhexyl ester
Identifier:
CAS number
10584-98-2
Identifier:
IUPAC name
Dibutyltin bis(2-ethylhexyl mercaptoacetate)
Identifier:
other: InChl
1S/2C10H20O2S.2C4H9.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
Identifier:
other: SMILES notation
[Sn](SCC(=O)OC[C@@H](CC)CCCC)(SCC(=O)OC[C@@H](CC)CCCC)(CCCC)CCCC
2-ethylhexyl 4,4-dibutyl-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate

CAS information

CAS number:
10584-98-2

Molecular and structural information

Molecular formula:
C28H56O4S2Sn
Molecular weight:
639.582
SMILES notation:
CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC
InChl:
InChI=1/2C10H20O2S.2C4H9.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC28H56O4S2Sn/c1-7-13-17-25(11-5)21-31-27(29)23-33-35(19-15-9-3,20-16-10-4)34-24-28(30)32-22-26(12-6)18-14-8-2/h25-26H,7-24H2,1-6H3
Structural formula:
Chemical structure