Basic information
- CAS
34175-08-1- Standard SMILES
O=C(O)c1[nH]n(-c2ccc(S(=O)(=O)O)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)O)cc1- InChIKey
SXSWSYRFTJDJTA-UHFFFAOYSA-N- Molecular formula
- C16H12N4O9S2
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 468.00457032
Names & identifiers
- Preferred name
- 4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-(2-(4-sulfophenyl)diazenyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 3-oxo-2-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-1H-pyrazole-5-carboxylic acid
Names & synonyms
34175-08-1DTXSID80472124,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-(2-(4-sulfophenyl)diazenyl)-1H-pyrazole-3-carboxylic acid4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylic acidRefChem:1069386DTXCID801064992FD&C Yellow No. 5 free acidSCHEMBL112423SCHEMBL218987SCHEMBL5352325SCHEMBL5352332CHEMBL2365709
Show more names
CHEMBL4792247SCHEMBL12231016ACID YELLOW 23 FREE ACIDDTXSID801357597NCGC00249065-01C.I. ACID YELLOW 23 (FREE ACID)NS00015689Q27265507
Database identifiers
- CAS
34175-08-1、942650-36-4- PubChem CID
- 16014
- DTXSID
DTXSID8047212- ChEMBL
CHEMBL2365709、CHEMBL4792247- UNII
- 6TP696149N
- EC Number
- 251-862-1
- Nikkaji
- J26.561F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 995
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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