Basic information
- CAS
29727-70-6- Standard SMILES
Nc1ccc2cc(S(=O)(=O)O)ccc2c1CS(=O)(=O)O- InChIKey
FHAPCIVDWNIOPS-UHFFFAOYSA-N- Molecular formula
- C11H11NO6S2
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.00277942
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl-
- IUPAC
- 6-amino-5-(sulfomethyl)naphthalene-2-sulfonic acid
Names & synonyms
29727-70-62-NAPHTHALENESULFONIC ACID, 6-AMINO-5-SULFOMETHYL-6-Amino-5-sulfomethyl-2-naphthalenesulfonic acidKyselina 1-sulfomethyl-2-naftylamin-6-sulfonova [Czech]DTXSID40183881Kyselina 1-sulfomethyl-2-naftylamin-6-sulfonovaRefChem:264197DTXCID801063726-amino-5-(sulfomethyl)naphthalene-2-sulfonic acid
Database identifiers
- CAS
29727-70-6- PubChem CID
- 34675
- DTXSID
DTXSID40183881- Nikkaji
- J42.439K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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