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English
6-(3-{4-[(E)-Phenyldiazenyl]phenyl}triazan-1-ylidene)cyclohexa-2,4-dien-1-one
group of stereoisomers with the chemical formula C₁₈H₁₅N₅O
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
317.1276601
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₅N₅O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1C=CC=CC1=NNNc1ccc(/N=N/c2ccccc2)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
O=C1C=CC=CC1=NNNc1ccc(/N=N/c2ccccc2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H15N5O/c24-18-9-5-4-8-17(18)22-23-21-16-12-10-15(11-13-16)20-19-14-6-2-1-3-7-14/h1-13,21,23H/b20-19+,22-17?
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InChIKey
UNRZODWGNNGQFU-VYAWBPQWSA-N
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CAS Registry Number
119191-00-3
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DSSTox substance ID
DTXSID20766999
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DSSTOX compound identifier
DTXCID00717742
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