Basic information
- CAS
25305-91-3- Standard SMILES
Cc1ccc(Nc2ccc(N=Nc3ccc(N=Nc4cccc(S(=O)(=O)O)c4)c4ccccc34)c3cccc(S(=O)(=O)O)c23)cc1- InChIKey
JLGHRHTZYNYXMD-UHFFFAOYSA-N- Molecular formula
- C33H25N5O6S2
- Average molar mass
- 651.7 g/mol
- Monoisotopic mass
- 651.12462588
Names & identifiers
- Preferred name
- Acid Blue 120 parent
- IUPAC
- 8-(4-methylanilino)-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
Names & synonyms
Acid Blue 120 parentSulfone cyanine25305-91-3J269.396HUNII-R0Z66J523VR0Z66J523V8-(4-Methylphenylamino)-5-(4-(3-sulfophenylazo)-1-naphthalenylazo)-1-naphthalenesulfonic acid1-Naphthalenesulfonic acid, 8-((4-methylphenyl)amino)-5-((4-((3-sulfophenyl)azo)-1-naphthalenyl)azo)-1-Naphthalenesulfonic acid, 8-((4-methylphenyl)amino)-5-((E)-2-(4-((E)-2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)-1-Naphthalenesulfonic acid, 8-((4-methylphenyl)amino)-5-(2-(4-(2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)-8-((4-Methylphenyl)amino)-5-((E)-(4-((E)-(3-sulfophenyl)diazenyl)-1-naphthyl)diazenyl)-1-naphthalenesulfonic acid8-(4-Methylanilino)-5-((4-((3-sulfophenyl)diazenyl)naphthalen-1-yl)diazenyl)naphthalene-1-sulfonic acid
Show more names
8-(4-methylanilino)-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acidNSC124568-(4-Methylanilino)-5-({4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl}diazenyl)naphthalene-1-sulfonic acidorb1986626DTXSID2045070SCHEMBL15276044SCHEMBL19322475SCHEMBL26460771
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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