Basic information
- Standard SMILES
O=C(O)c1ccc(O)cc1.O=C(O)c1ccc2cc(C(=O)O)ccc2c1.O=C(O)c1ccc2cc(O)ccc2c1.Oc1ccc(O)cc1- InChIKey
OUYFNECKXRPEDB-UHFFFAOYSA-N- Molecular formula
- C36H28O12
- Average molar mass
- 652.6 g/mol
Names & identifiers
- Preferred name
- Benzene-1,4-diol;4-hydroxybenzoic acid;6-hydroxynaphthalene-2-carboxylic acid;naphthalene-2,6-dicarboxylic acid
- IUPAC
- benzene-1,4-diol;4-hydroxybenzoic acid;6-hydroxynaphthalene-2-carboxylic acid;naphthalene-2,6-dicarboxylic acid
- English name
- 1,4-Benzenediol polymer with 4-hydroxybenzoic acid, 6-hydroxy-2-naphthalenecarboxylic acid and 2,6-naphthalenedicarboxylic acid
- Molecular formula
- C36H28O12
- Molecular weight
- 652.61
Names & synonyms
OUYFNECKXRPEDB-UHFFFAOYSA-N1,4-Benzenediol polymer with 4-hydroxybenzoic acid, 6-hydroxy-2-naphthalenecarboxylic acid and 2,6-naphthalenedicarboxylic acid
Database identifiers
- CAS
146647-94-1
Properties
Computed structural properties
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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