Basic information
- CAS
5972-79-2- Standard SMILES
CCCCCCCCCCCCC1=C([O-])C(=O)C=C([O-])C1=O.[NH4+].[NH4+]- InChIKey
JGKBGTUBKXFEBI-UHFFFAOYSA-N- Molecular formula
- C18H34N2O4
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.25185757
Names & identifiers
- Preferred name
- 3-dodecyl-2,5-dihydroxy-1,4-benzoquinone, diammonium salt
- IUPAC
- diazanium;2-dodecyl-3,6-dioxocyclohexa-1,4-diene-1,4-diolate
- English name
- 3-dodecyl-2,5-dihydroxy-1,4-benzoquinone, diammonium salt
- Molecular formula
- C18H31NO4
- Molecular weight
- 325.45
Names & synonyms
5972-79-2EINECS 227-766-03-Dodecyl-2,5-dihydroxy-1,4-benzoquinone, diammonium saltDTXSID60208444RefChem:93733DTXCID80130935227-766-0NS00120167DIAMMONIUM 2-DODECYL-3,6-DIOXOCYCLOHEXA-1,4-DIENE-1,4-BIS(OLATE)embelin diammonium saltdiazanium,2-dodecyl-3,6-dioxocyclohexa-1,4-diene-1,4-diolate
Database identifiers
- CAS
5972-79-2- PubChem CID
- 80073
- DTXSID
DTXSID60208444- EC Number
- 227-766-0
Properties
Computed structural properties
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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