Basic information
- CAS
2538-79-6- Standard SMILES
O=S(=O)(O)c1cc(O)c(N=Nc2c(O)ccc3ccccc23)c2ccccc12- InChIKey
ZMLWOOMWRCRLCH-UHFFFAOYSA-N- Molecular formula
- C20H14N2O5S
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.06234272
Names & identifiers
- Preferred name
- 3-Hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-1-naphthalenesulfonic acid
- IUPAC
- 3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
- English name
- 3-hydroxy-4-[(2-hydroxynaphthyl)azo]naphthalene-1-sulphonic acid
- Molecular formula
- C20H14N2O5S
- Molecular weight
- 394.40056
Names & synonyms
3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-1-naphthalenesulfonic acid3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonic acidRefChem:9113682538-79-6CHEMBL124855Calcon free acidEINECS 219-808-13-Hydroxy-4-((2-hydroxynaphthyl)azo)naphthalene-1-sulphonic acidRHR78QL7QMSCHEMBL3010602SCHEMBL7247118SCHEMBL19322477
Show more names
4-(2-Hydroxy-1-naphtylazo)-3-hydroxy-1-naphthalenesulfonic acid3-Hydroxy-4-(2-hydroxy-1-naphtylazo)-1-naphthalenesulfonic acid1-(2-Hydroxy-1-naphtylazo)-2-hydroxynaphthalene-4-sulfonic acid3-hydroxy-4-[(2-hydroxynaphthyl)azo]naphthalene-1-sulphonic acid1-[(2-Hydroxy-1-naphtyl)azo]-2-hydroxy-4-naphthalenesulfonic acid3-Hydroxy-4-[(2-hydroxy-1-naphtyl)azo]-1-naphthalenesulfonic acid4-[(2-Hydroxy-1-naphtyl)azo]-3-hydroxy-1-naphthalenesulfonic acid1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-
SCHEMBL29362358SCHEMBL30371538DTXSID80862981BDBM50105977NCI60_003954NCI60_004126NS000062951-(2-hydroxy-1-naphthy-lazo)-2-naphthol-4-sulfonic acid
Database identifiers
- CAS
2538-79-6- PubChem CID
- 17341
- DTXSID
DTXSID80862981- ChEMBL
CHEMBL124855- UNII
- RHR78QL7QM
- EC Number
- 219-808-1、923-633-2
- Nikkaji
- J192.027H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 679
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
1 records
Compound notes
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