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(Q83001121)
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English
N-(4-Ethoxyphenyl)-4-(1-ethylbenzo[cd]indol-2(1H)-ylidene)-N-methylcyclohexa-2,5-dien-1-iminium methyl sulfate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
518.1875430599999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₀N₂O₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOc1ccc([N+](C)=C2C=CC(=c3c4cccc5cccc(c54)n3CC)C=C2)cc1.COS(=O)(=O)[O-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H27N2O.CH4O4S/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2;1-5-6(2,3)4/h6-19H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
0 references
InChIKey
NWIMVKUKXLMMOZ-UHFFFAOYSA-M
0 references
CAS Registry Number
85187-81-1
1 reference
InChIKey
NWIMVKUKXLMMOZ-UHFFFAOYSA-M
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=85187-81-1
PubChem CID
44154052
1 reference
matched by identifier from
InChIKey
InChIKey
NWIMVKUKXLMMOZ-UHFFFAOYSA-M
DSSTox substance ID
DTXSID301005656
1 reference
matched by identifier from
InChIKey
InChIKey
NWIMVKUKXLMMOZ-UHFFFAOYSA-M
DSSTOX compound identifier
DTXCID401432535
0 references
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