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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-({(E)-[4-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-ylidene]methyl}amino)benzoate
Synonyms
Names:
Identifier:
CAS number
2058320-48-0

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=C(CCCC(C)(C)O)CC1
InChl:
InChI=1S/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,22,24H,6-7,11-14H2,1-3H3/b17-15-
Structural formula:
Chemical structure