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Reference substances

Reference substances

Currently viewing:
IUPAC name:
Fatty acids, C12-18

Inventory

EC number:
266-925-9
EC name:
Fatty acids, C12-18
CAS number:
67701-01-3
Description:
This substance is identified by SDA Substance Name: C12-C18 alkyl carboxylic acid and SDA Reporting Number: 16-005-00.
CAS number:
67701-01-3
Synonyms
Names:
Identifier:
IUPAC name
Fatty acids, C12-18
Identifier:
IUPAC name
Fatty acids, C12-18 (even numbered)
Identifier:
other: SMILES notation
CCC(O)=O
Identifier:
other: SMILES notation
O=C(CCCCCCCCCCCCCCCCC)O -C18
Identifier:
other: InChl
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) -(C18)
Identifier:
other: Molecular formula
(CH2)10-16C2H4O2
Identifier:
other: Molecular formula
C12-18H24-36O2
Identifier:
other: Molecular formula
C12H24O2-C18H36O2
Identifier:
other: SMILES notation
CCC(O)=O
Identifier:
other: SMILES notation
CCCCCCCCCCCC(=O)OO=C(O)CCCCCCCCCCCCCCCCC
Identifier:
other: InChl
InChI=1S/C30H59O4/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-30(32)34-33-29(31)27-25-23-21-19-12-10-8-6-4-2/h32H,3-28H2,1-2H3
Identifier:
other: InChl
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

Molecular and structural information

Molecular formula:
C12H24O2 - C18H36O2
Molecular weight:
>= 200 - <= 284
SMILES notation:
O=C(CCCCCCCCCCCCCCCCC)O -C18
InChl:
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) -(C18)
Structural formula:
Chemical structure

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