Direct Orange 29 free acid
Basic information
- CAS
25255-09-8- Standard SMILES
O=C(Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3cccc(C(=O)O)c3)c(S(=O)(=O)O)cc2c1- InChIKey
LHZXQEFDPQKZLS-UHFFFAOYSA-N- Molecular formula
- C34H24N6O11S2
- Average molar mass
- 756.7 g/mol
- Monoisotopic mass
- 756.09444795
Names & identifiers
- Preferred name
- Direct Orange 29 free acid
- IUPAC
- 3-[[1-hydroxy-6-[(5-hydroxy-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
Names & synonyms
Direct Orange 29 free acid6XT4HPY7FQUNII-6XT4HPY7FQC.i. direct Orange 29 (free acid)25255-09-8Benzoic acid, 3-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-Benzoic acid, 3-(2-(1-hydroxy-6-((((5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-DTXSID50863809Q272656893-{[1-Hydroxy-6-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonaphthalen-2-yl]carbamoyl}amino)-3-sulfonaphthalen-2-yl]diazenyl}benzoic acid
Database identifiers
- CAS
25255-09-8- PubChem CID
- 80884
- DTXSID
DTXSID50863809- UNII
- 6XT4HPY7FQ
- EC Number
- 607-670-9
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 294 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,580
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