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Reference substances

Reference substances

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General information

Inventory

EC number:
247-279-7
EC name:
2,2-bis[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
CAS number:
25811-35-2

No inventory information available

Reference substance information

IUPAC name:
3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)
Synonyms
Names:
HEPTANOIC ACID, 2,2-BIS[[(1-OXOHEPTYL)OX
Identifier:
IUPAC name
2,2-bis[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
Identifier:
other: SMILES notation
CCCCCCC(OCC(COC(CCCCCC)=O)(COC(CCCCCC)=O)COC(CCCCCC)=O)=O

CAS information

CAS number:
25811-35-2

Molecular and structural information

Molecular formula:
C33H60O8
Molecular weight:
584.825
SMILES notation:
CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC
InChl:
InChI=1/C33H60O8/c1-5-9-13-17-21-29(34)38-25-33(26-39-30(35)22-18-14-10-6-2,27-40-31(36)23-19-15-11-7-3)28-41-32(37)24-20-16-12-8-4/h5-28H2,1-4H3
Structural formula:
Chemical structure