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Reference substances

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IUPAC name:
(4-(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, chloride

Inventory

EC number:
208-953-6
EC name:
[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride
CAS number:
548-62-9
CAS number:
548-62-9
Synonyms
Names:
Identifier:
IUPAC name
N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride
Identifier:
Colour Index
CI 42555
Identifier:
common name
C.I Basic Violet 3
Identifier:
other: Molecular formula
C25H30ClN3
Identifier:
other: SMILES notation
CN(C)c1ccc(C(=C2C=CC(=N{+}(C)(C).Cl{-})C=C2)c2ccc(N(C)C)cc2)cc1

Molecular and structural information

Molecular formula:
C25H30N3.Cl
Molecular weight:
407.986
SMILES notation:
C(\c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)=C1\C=C\C(=[N+](/C)C)C=C1.[ClH-]
InChl:
1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
Structural formula:
Chemical structure

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