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Reference substances

Reference substances

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General information

Inventory

EC number:
250-705-4
EC name:
Stearic acid, monoester with glycerol
CAS number:
31566-31-1

No inventory information available

Reference substance information

IUPAC name:
2-hydroxy-1-(hydroxymethyl)ethyl stearate
Synonyms
Names:
Octadecanoic acid, monoester with 1,2,3-propanetriol
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
Identifier:
other: InChl
InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3

CAS information

CAS number:
31566-31-1

Molecular and structural information

Molecular formula:
C21H42O4
Molecular weight:
358.563
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChl:
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
Structural formula:
Chemical structure