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IUPAC name:
Decanoic Acid, ester with 1,2,3-propanetriol octanoate



Inventory

EC number:
265-724-3
EC name:
Decanoic acid, ester with 1,2,3-propanetriol octanoate
CAS number:
65381-09-1
CAS number:
65381-09-1
Synonyms
Names:
Decanoic acid, ester with 1,2,3-propanetriol octanoate
Identifier:
IUPAC name
2-hydroxy-1-[(octanoyloxy)methyl]ethyl decanoate
Identifier:
other: SMILES notation
CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC
Identifier:
other: SMILES notation
CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC
Identifier:
other: InChl
InChI=1/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3
Identifier:
other: InChl
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-13-15-20(23)25-18-19(17-22)26-21-(24)16-14-11-8-6-4-2/h19,22H,3-18H2,1-2H3 InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3 InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-18-19(22)17-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3

Molecular and structural information

Molecular formula:
C21H40O5
Molecular weight:
372.539
SMILES notation:
CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC
CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC
CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC
InChl:
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-13-15-20(23)25-18-19(17-22)26-21(24)16-14-11-8-6-4-2/h19,22H,3-18H2,1-2H3
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-18-19(22)17-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3
Structural formula:
Chemical structure

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