Basic information
- CAS
1174913-94-0- Standard SMILES
O=C(O)C=CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(O)c12- InChIKey
FGIPLWAWRAFLMM-UHFFFAOYSA-N- Molecular formula
- C24H17N3O16S4
- Average molar mass
- 731.7 g/mol
- Monoisotopic mass
- 730.94916616
Names & identifiers
- Preferred name
- 4-[[7-[2-(1,5-Disulfo-2-naphthalenyl)diazenyl]-8-hydroxy-3,6-disulfo-1-naphthalenyl]amino]-4-oxo-2-butenoic acid
- IUPAC
- 4-[[7-[(1,5-disulfonaphthalen-2-yl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]amino]-4-oxobut-2-enoic acid
Names & synonyms
DTXSID8011078011174913-94-04-[[7-[2-(1,5-Disulfo-2-naphthalenyl)diazenyl]-8-hydroxy-3,6-disulfo-1-naphthalenyl]amino]-4-oxo-2-butenoic acid
Database identifiers
- CAS
1174913-94-0- PubChem CID
- 165367348
- DTXSID
DTXSID801107801
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 362 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,710
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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