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(Q82953163)
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English
2-(3',3'-Dimethyl-6-nitrospiro[1-benzopyran-2,2'-indol]-1'(3'H)-yl)ethan-1-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
352.14230711999994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₀N₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1(C)c2ccccc2N(CCO)C12C=Cc1cc([N+](=O)[O-])ccc1O2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H20N2O4/c1-19(2)16-5-3-4-6-17(16)21(11-12-23)20(19)10-9-14-13-15(22(24)25)7-8-18(14)26-20/h3-10,13,23H,11-12H2,1-2H3
0 references
InChIKey
FGJPKPQMQFZPJY-UHFFFAOYSA-N
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CAS Registry Number
5475-99-0
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PubChem CID
3104858
1 reference
matched by identifier from
InChIKey
InChIKey
FGJPKPQMQFZPJY-UHFFFAOYSA-N
DSSTox substance ID
DTXSID80970075
1 reference
matched by identifier from
InChIKey
InChIKey
FGJPKPQMQFZPJY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID901397613
0 references
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