Basic information
- CAS
7401-45-8- Standard SMILES
O=S(=O)(O)c1ccc2c(N=Nc3ccc(OCCOCCOc4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c56)cc4)cc3)c(O)c(S(=O)(=O)O)cc2c1- InChIKey
OLQGZZBEPBRRDN-UHFFFAOYSA-N- Molecular formula
- C36H30N4O17S4
- Average molar mass
- 918.9 g/mol
- Monoisotopic mass
- 918.0488802
Names & identifiers
- Preferred name
- 7-Hydroxy-8-[[4-[2-[2-[4-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]phenoxy]ethoxy]ethoxy]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
- IUPAC
- 7-hydroxy-8-[[4-[2-[2-[4-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]phenoxy]ethoxy]ethoxy]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
Names & synonyms
NSC658547401-45-8DTXSID50430479NSC-65854(8Z)-7-Oxo-8-(2-{4-[2-(2-{4-[(2Z)-2-(2-oxo-3,6-disulfonaphthalen-1(2H)-ylidene)hydrazin-1-yl]phenoxy}ethoxy)ethoxy]phenyl}hydrazinylidene)-7,8-dihydronaphthalene-1,3-disulfonic acid
Database identifiers
- CAS
7401-45-8- PubChem CID
- 415005
- DTXSID
DTXSID50430479
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 369 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 16
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,950
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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