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Reference substances

Reference substances

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General information

Inventory

EC number:
273-368-5
EC name:
Di(isooctadecanoic) acid, diester with glycerol
CAS number:
68958-48-5

No inventory information available

Reference substance information

IUPAC name:
Isooctadecanoic acid, diester with 1,2,3-propanetriol
Synonyms
Names:
Glyceryl diisostearate
Isooctadecanoic acid, diester with 1,2,3-propanetriol
Identifier:
IUPAC name
di(isooctadecanoic) acid, diester with 1,2,3 propanetriol
Identifier:
other: SMILES notation
not available, substance is UVCB
Identifier:
other: InChl
not available, substance is UVCB

CAS information

CAS number:
68958-48-5

Molecular and structural information

Molecular formula:
C39H76O5
Molecular weight:
ca. 625
SMILES notation:
CC(C)CCCCCCCCCCCCCCC(OC(COC(CCCCCCCCCCCCCCC(C)C)=O)CO)=O
and
CC(C)CCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCC(C)C)=O)O)=O
InChl:
InChI=1S/C39H76O5/c1-35(2)29-25-21-17-13-9-5-7-11-15-19-23-27-31-38(41)43-34-37(33-40)44-39(42)32-28-24-20-16-12-8-6-10-14-18-22-26-30-36(3)4/h35-37,40H,5-34H2,1-4H3
and
InChI=1S/C39H76O5/c1-35(2)29-25-21-17-13-9-5-7-11-15-19-23-27-31-38(41)43-33-37(40)34-44-39(42)32-28-24-20-16-12-8-6-10-14-18-22-26-30-36(3)4/h35-37,40H,5-34H2,1-4H3
Structural formula:
Chemical structure