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Reference substances

Reference substances

IUPAC name:
etocrilene

Inventory

EC number:
226-029-0
EC name:
Etocrilene
CAS number:
5232-99-5
CAS number:
5232-99-5
Synonyms
Names:
2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester
Identifier:
IUPAC name
ethyl 2-cyano-3,3-diphenylprop-2-enoate
Identifier:
other: SMILES notation
CCOC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
Identifier:
other: InChl
InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
ethyl 2-cyano-3,3-diphenylacrylate

Molecular and structural information

Molecular formula:
C18H15NO2
Molecular weight:
277.317
SMILES notation:
CCOC(=O)C(=C(c1ccccc1)c2ccccc2)C#N
InChl:
InChI=1/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
Structural formula:
Chemical structure

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