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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
methyl 2-({(Z)-[3-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-ylidene]methyl}amino)benzoate
Synonyms
Names:
Identifier:
CAS number
2058316-47-3

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
2059116-34-4

Molecular and structural information

Molecular formula:
C21H29NO3
Molecular weight:
343.46
SMILES notation:
O=C(OC)c2ccccc2N\C=C1\CC(CCCC(C)(C)O)=CCC1
InChl:
InChI=1S/C21H29NO3/c1-21(2,24)13-7-10-16-8-6-9-17(14-16)15-22-19-12-5-4-11-18(19)20(23)25-3/h4-5,8,11-12,15,22,24H,6-7,9-10,13-14H2,1-3H3/b17-15+
Structural formula:
Chemical structure