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Reference substances

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IUPAC name:
3,7-Dimethyl-2,6-octadienal

Inventory

EC number:
226-394-6
EC name:
Citral
CAS number:
5392-40-5
CAS number:
5392-40-5
Synonyms
Names:
Geranial
Identifier:
IUPAC name
(2E)-3,7-dimethylocta-2,6-dienal and (2Z)-3,7-dimethylocta-2,6-dienal
Identifier:
IUPAC name
3,7-dimethylocta-2,6-dienal
Identifier:
other: SMILES notation
CC(=CCC/C(=C/C=O)/C)C
Identifier:
other: SMILES notation
CC(=CCC\C(=C\C=O)\C)C
Identifier:
other: InChl
InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+

Molecular and structural information

Molecular formula:
C10H16O
Molecular weight:
152.24
SMILES notation:
O=CC=C(CCC=C(C)C)C
InChl:
InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
Structural formula:
Chemical structure

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