Basic information
- CAS
73003-84-6- Standard SMILES
Cc1cc(S(=O)(=O)O)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)ccc2c1O- InChIKey
YOWVPESBJWMOAU-UHFFFAOYSA-N- Molecular formula
- C28H22N4O12S3
- Average molar mass
- 702.7 g/mol
- Monoisotopic mass
- 702.03963567
Names & identifiers
- Preferred name
- 4-Hydroxy-7-((((5-hydroxy-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-((2-methyl-4-sulphophenyl)azo)naphthalene-2-sulphonic acid
- IUPAC
- 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
EINECS 277-209-073003-84-64-Hydroxy-7-((((5-hydroxy-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-((2-methyl-4-sulphophenyl)azo)naphthalene-2-sulphonic acidYOWVPESBJWMOAU-UHFFFAOYSA-NDTXSID301101696NS000591334-Hydroxy-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-3-[2-(2-methyl-4-sulfophenyl)diazenyl]-2-naphthalenesulfonic acid
Database identifiers
- CAS
73003-84-6- PubChem CID
- 175379
- DTXSID
DTXSID301101696- EC Number
- 277-209-0
- Nikkaji
- J291.377A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 295 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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