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Reference substances

Reference substances

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General information

Inventory

EC number:
204-664-4
EC name:
Glycerol 1-stearate
CAS number:
123-94-4

No inventory information available

Reference substance information

IUPAC name:
2,3-dihydroxypropyl stearate
Synonyms
Names:
Octadecanoic acid, 2,3-dihydroxypropyl ester
Identifier:
IUPAC name
2,3-Dihydroxypropyl octadecanoate
Identifier:
IUPAC name
2,3-Dihydroxypropyl stearate
Identifier:
IUPAC name
2,3-dihydroxypropyl octadecanoate
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Identifier:
other: InChl
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
Identifier:
other: SMILES notation
OCC(O)COC(=O)CCCCCCCCCCCCCCCCC

CAS information

CAS number:
123-94-4

Molecular and structural information

Molecular formula:
C21H42O4
Molecular weight:
358.556
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
InChl:
InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
Structural formula:
Chemical structure