Basic information
- CAS
13617-83-9- Standard SMILES
Nc1ccc2c(O)c(N=Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)c(S(=O)(=O)O)cc2c1- InChIKey
ZSHNSNDVNDUHIM-UHFFFAOYSA-N- Molecular formula
- C20H15N3O8S2
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 489.03005679
Names & identifiers
- Preferred name
- 7-Amino-4-Hydroxy-3-[(E)-(5-Hydroxy-7-Sulfonaphthalen-2-Yl)diazenyl]naphthalene-2-Sulfonic Acid
- IUPAC
- 7-amino-4-hydroxy-3-[(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
13617-83-97-Amino-4-Hydroxy-3-[(E)-(5-Hydroxy-7-Sulfonaphthalen-2-Yl)diazenyl]naphthalene-2-Sulfonic AcidNSC-162535(e)-7-amino-4-hydroxy-3-((5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl)naphthalene-2-sulfonic acidNSC162535SCHEMBL2678429SCHEMBL2678435CHEMBL1092443DTXSID90422358Q274641847-amino-4-hydroxy-3-((5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl)naphthalene-2-sulfonic acid7-[(2Z)-2-(6-Amino-1-oxo-3-sulfonaphthalen-2(1H)-ylidene)hydrazin-1-yl]-4-hydroxynaphthalene-2-sulfonic acid
Database identifiers
- CAS
13617-83-9- PubChem CID
- 294384
- DTXSID
DTXSID90422358- ChEMBL
CHEMBL1092443
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 947
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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