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(Q82948821)
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English
N-{10-(3-Formylphenoxy)-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrophenyl)methoxy]imino}-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}-N-methylquinoline-8-sulfonamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
930.350979548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₁H₅₄N₄O₁₁S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CCOC12Oc3ccc(Oc4cccc(C=O)c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOCc4ccc([N+](=O)[O-])cc4)CC1N(C)S(=O)(=O)c1cccc4cccnc14)C32
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C51H54N4O11S/c1-3-27-63-51-47(54(2)67(61,62)46-17-9-13-36-14-10-24-52-50(36)46)31-44(53-64-33-34-18-20-38(21-19-34)55(59)60)42-29-37(12-4-6-25-56)41(16-5-7-26-57)48(49(42)51)43-30-40(22-23-45(43)66-51)65-39-15-8-11-35(28-39)32-58/h3,8-11,13-15,17-24,28-30,32,37,41,47-49,56-57H,1,4-7,12,16,25-27,31,33H2,2H3
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InChIKey
BNJQLTFAXVWHGO-UHFFFAOYSA-N
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CAS Registry Number
5205-36-7
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
sec-butyl bromoacetate
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DSSTox substance ID
DTXSID20966417
1 reference
matched by identifier from
InChIKey
InChIKey
BNJQLTFAXVWHGO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID801394054
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