Registration Dossier

Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
2,3-epoxypropyl neodecanoate trimer, 4-methylbenzenesulfonate

Molecular and structural information

Molecular formula:
C46 H80 O12 S
Molecular weight:
857.2
SMILES notation:
CC(C)(C)C(C)C(C)(C)C(=O)OCC(OCC(O)COC(=O)C(C)(C)C(C)C(C)(C)C)COCC(OS(=O)(=O)c1ccc(C)cc1)COC(=O)C(C)(C)C(C)C(C)(C)C
InChl:
InChI=1S/C46H80O12S/c1-30-20-22-37(23-21-30)59(51,52)58-36(29-57-40(50)46(18,19)33(4)43(11,12)13)27-53-26-35(28-56-39(49)45(16,17)32(3)42(8,9)10)54-24-34(47)25-55-38(48)44(14,15)31(2)41(5,6)7/h20-23,31-36,47H,24-29H2,1-19H3
Structural formula:
Chemical structure