Basic information
- CAS
732182-31-9- Standard SMILES
Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(-c2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(Cl)c2)cc1Cl- InChIKey
FXVPOIQQSVLCLD-UHFFFAOYSA-N- Molecular formula
- C32H22Cl2N6O12S4
- Average molar mass
- 881.7 g/mol
- Monoisotopic mass
- 879.9555602
Names & identifiers
- Preferred name
- 4,4'-((3,3'-Dichloro[biphenyl]-4,4'-diyl)di-2,1-diazenediyl)bis(3-amino-2,7-naphthalenedisulfonic acid)
- IUPAC
- 3-amino-4-[[4-[4-[(2-amino-3,6-disulfonaphthalen-1-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
DTXSID408599784,4'-((3,3'-Dichloro[biphenyl]-4,4'-diyl)di-2,1-diazenediyl)bis(3-amino-2,7-naphthalenedisulfonic acid)732182-31-94,4'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(3-aminonaphthalene-2,7-disulfonic acid)
Database identifiers
- CAS
732182-31-9- PubChem CID
- 81035
- DTXSID
DTXSID40859978- Nikkaji
- J269.440I
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 352 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 9
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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