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(Q82869358)
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English
Diphenaleno[1,9-ab:1',9'-lm]triphenodioxazinetetrasulfonic acid, 8,19-dichloro-, sodium salt (1:4)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
1,009.8139195440006
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₈H₁₂Cl₂N₂Na₄O₁₄S₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=S(=O)([O-])c1c(S(=O)(=O)[O-])c2ccc3c4nc5c(Cl)c6oc7cc8ccc9cccc%10ccc(c7nc6c(Cl)c5oc4cc4cc(S(=O)(=O)[O-])c(c1S(=O)(=O)[O-])c2c43)c8c9%10.[Na+].[Na+].[Na+].[Na+]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C38H16Cl2N2O14S4.4Na/c39-28-33-35(29(40)32-34(28)55-20-10-15-5-4-13-2-1-3-14-6-7-17(30(20)41-32)24(15)23(13)14)56-21-11-16-12-22(57(43,44)45)27-26-19(9-8-18(25(16)26)31(21)42-33)36(58(46,47)48)38(60(52,53)54)37(27)59(49,50)51;;;;/h1-12H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
0 references
InChIKey
HHAJROYLPHLLTP-UHFFFAOYSA-J
0 references
CAS Registry Number
33700-25-3
0 references
PubChem CID
138395851
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HHAJROYLPHLLTP-UHFFFAOYSA-J
UniChem compound ID
167144701
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40889715
1 reference
matched by identifier from
InChIKey
InChIKey
HHAJROYLPHLLTP-UHFFFAOYSA-J
DSSTOX compound identifier
DTXCID901028967
0 references
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