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(Q82929468)
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English
2-[(1-Amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-5-(2-methylbutan-2-yl)benzene-1-sulfonic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
481.1195230759999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₂₃NO₇S
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canonical SMILES
CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O
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Identifiers
InChI
InChI=1S/C25H23NO7S/c1-4-25(2,3)13-9-10-17(19(11-13)34(30,31)32)33-18-12-16(27)20-21(22(18)26)24(29)15-8-6-5-7-14(15)23(20)28/h5-12,27H,4,26H2,1-3H3,(H,30,31,32)
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InChIKey
ZRKJMQWEHVSONA-UHFFFAOYSA-N
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CAS Registry Number
28517-81-9
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PubChem CID
119974
1 reference
matched by identifier from
InChIKey
InChIKey
ZRKJMQWEHVSONA-UHFFFAOYSA-N
UniChem compound ID
56341888
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00951205
1 reference
matched by identifier from
InChIKey
InChIKey
ZRKJMQWEHVSONA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID201379335
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