Basic information
- CAS
72987-46-3- Standard SMILES
O=C(Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(S(=O)(=O)O)c(N=Nc3ccc(C(=O)O)cc3)c(O)cc2c1- InChIKey
HDZRWPQUBFZFIJ-UHFFFAOYSA-N- Molecular formula
- C34H24N6O11S2
- Average molar mass
- 756.7 g/mol
- Monoisotopic mass
- 756.09444795
Names & identifiers
- Preferred name
- C.I. Direct Orange 102 parent
- IUPAC
- 4-[[3-hydroxy-6-[(5-hydroxy-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)carbamoylamino]-1-sulfonaphthalen-2-yl]diazenyl]benzoic acid
Names & synonyms
C.I. Direct Orange 102 parentDTXSID501029806
Database identifiers
- CAS
72987-46-3- PubChem CID
- 81074
- DTXSID
DTXSID501029806
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
- 1,570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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