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Reference substances

Reference substances

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General information

Inventory

EC number:
252-907-8
EC name:
(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)triethane-2,1-diyl tris(3-mercaptopropionate)
CAS number:
36196-44-8

No inventory information available

Reference substance information

IUPAC name:
2-[2,4,6-trioxo-3,5-bis({2-[(3-sulfanylpropanoyl)oxy]ethyl})-1,3,5-triazinan-1-yl]ethyl 3-sulfanylpropanoate
Synonyms
Names:
(2,4,6-trioxo-1,3,5-triazine-1,3,5(2h,4h,6h)-triyl)triethane-2,1-diyl_tris(3-mercaptopropionate)
Propanoic acid, 3-mercapto-, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl ester
(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl tris(3-sulfanylpropanoate)

CAS information

CAS number:
36196-44-8

Molecular and structural information

Molecular formula:
C18H27N3O9S3
Molecular weight:
525.617
SMILES notation:
SCCC(=O)OCCN1C(=O)N(CCOC(=O)CCS)C(=O)N(CCOC(=O)CCS)C1=O
InChl:
InChI=1/C18H27N3O9S3/c22-13(1-10-31)28-7-4-19-16(25)20(5-8-29-14(23)2-11-32)18(27)21(17(19)26)6-9-30-15(24)3-12-33/h31-33H,1-12H2
Structural formula:
Chemical structure