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Reference substances

Reference substances

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General information

Inventory

EC number:
298-361-4
EC name:
2-octyldodecyl isooctadecanoate
CAS number:
93803-87-3

No inventory information available

Reference substance information

IUPAC name:
2-octyldodecyl isooctadecanoate

CAS information

CAS number:
93803-87-3

Molecular and structural information

Molecular formula:
C38H76O2
Molecular weight:
565
SMILES notation:
CC(C)CCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC
One of the potential SMILES codes due to different branching options
InChl:
InChI=1/C38H76O2/c1-5-7-9-11-13-21-25-29-33-37(32-28-24-12-10-8-6-2)35-40-38(39)34-30-26-22-19-17-15-14-16-18-20-23-27-31-36(3)4/h36-37H,5-35H2,1-4H3
One of the potential InChI codes due to different branching options
Structural formula:
Chemical structure