4H-4-Phenylthieno-(3,2-c)-(1)-benzopyran-2-carboxylate
Basic information
- CAS
105799-78-8- Standard SMILES
O=C([O-])c1cc2c(s1)-c1ccccc1OC2c1ccccc1.[Na+]- InChIKey
JTWZGWYZGDMBGC-UHFFFAOYSA-M- Molecular formula
- C18H11NaO3S
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.03265966
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4H-4-Phenylthieno-(3,2-c)-(1)-benzopyran-2-carboxylate
- IUPAC
- sodium 4-phenyl-4H-thieno[3,2-c]chromene-2-carboxylate
- English name
- 4H-4-phenylthieno-(3,2-C)-(1)-benzopyran-2-carboxylate
- Molecular weight
- 0
Names & synonyms
105799-78-8CLF2L4EX4I4H-4-Phenylthieno-(3,2-C)-(1)-benzopyran-2-carboxylate4H-Thieno(3,2-c)(1)benzopyran-2-carboxylic acid, 4-phenyl-, sodium saltRefChem:100683Zy-15850AUNII-CLF2L4EX4IDTXSID40909740Q27275522Sodium 4-phenyl-4H-thieno[3,2-c][1]benzopyran-2-carboxylate4H-THIENO(3,2-C)(1)BENZOPYRAN-2-CARBOXYLIC ACID, 4-PHENYL-, SODIUM SALT (1:1)
Database identifiers
- CAS
105799-78-8- PubChem CID
- 23680239
- DTXSID
DTXSID40909740- UNII
- CLF2L4EX4I
- Nikkaji
- J396.648H
Properties
Computed structural properties
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- FDA UNII
- 2 L4EX4I · CLF2L4EX4I
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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