1,4-Naphthoquinone-2-sulfonate
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Basic information
- CAS
5690-16-4- Standard SMILES
O=C1C=C(S(=O)(=O)O)C(=O)c2ccccc21- InChIKey
IAGVANYWTGRDOU-UHFFFAOYSA-N- Molecular formula
- C10H6O5S
- Average molar mass
- 238.22 g/mol
- Monoisotopic mass
- 237.99359446
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 1,4-Naphthoquinone-2-sulfonate
- IUPAC
- 1,4-dioxonaphthalene-2-sulfonic acid
- English name
- azanium 1,4-dioxonaphthalene-2-sulfonate
- Molecular formula
- C10H6O5S
- Molecular weight
- 238.22
Names & synonyms
5690-16-41,4-Naphthoquinone-2-sulfonate1,4-Naphthoquinone-2-potassium sulfonateRefChem:733671,4-dioxonaphthalene-2-sulfonic acid1,4-dioxo-1,4-dihydronaphthalene-2-sulfonic acidazanium 1,4-dioxonaphthalene-2-sulfonate1,4-Naphthoquinone-2-sulfonic acid2-Naphthalenesulfonic acid, 1,4-dihydro-1,4-dioxo-NaphthochinonsulfosaureSCHEMBL1916172-Naphthalenesulfonicacid, 1,4-dihydro-1,4-dioxo-
Show more names
1,4-Dihydro-1,4-dioxonaphthalene-2-sulfonic acid1,4-Dihydro-1,4-dioxo-2-naphthalenesulfonic acid
SCHEMBL10752790SCHEMBL30094883DTXSID10972340IAGVANYWTGRDOU-UHFFFAOYSA-NSTK408819AKOS005453903
Database identifiers
- CAS
5690-16-4- PubChem CID
- 92471
- DTXSID
DTXSID10972340- Nikkaji
- J173.421K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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