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2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2-aminoethanol (1:1)

HCID 106980
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Basic information

CAS
67939-53-1
Standard SMILES
CCCCCCC1C=CC(CCCCCCCC(=O)O)CC1C(=O)O.NCCO
InChIKey
WJSMHCRJYTZKHE-UHFFFAOYSA-N
Molecular formula
C23H43NO5
Average molar mass
413.599 g/mol
Monoisotopic mass
413.31412348

Names & identifiers

Preferred name
2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2-aminoethanol (1:1)
IUPAC
5-(7-Carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid--2-aminoethan-1-ol (1/1)

Database identifiers

CAS
67939-53-1
PubChem CID
106980
DTXSID
DTXSID70887047
EC Number
267-841-5

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