Basic information
- CAS
127-83-3- Standard SMILES
O=S(=O)([O-])c1ccc(O)cc1.O=S(=O)([O-])c1ccc(O)cc1.[Ca+2]- InChIKey
JVEDXKIOAFPPPG-UHFFFAOYSA-L- Molecular formula
- C12H10CaO8S2
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 385.9443005
Names & identifiers
- Preferred name
- Calcium phenolsulfonate
- IUPAC
- calcium bis(4-hydroxybenzenesulfonate)
Names & synonyms
CALCIUM PHENOLSULFONATE127-83-3Calcium bis(4-hydroxybenzenesulphonate)UNII-199995D30MEINECS 204-868-3CALCIUM SULFOPHENOLATECALCIUM PHENOLSULPHONATE199995D30MDTXSID80155365CALCIUM PHENOLSULFONATE [MI]BENZENESULFONIC ACID, 4-HYDROXY-, CALCIUM SALT (2:1)BENZENESULFONIC ACID, P-HYDROXY-, CALCIUM SALT (2:1)
Show more names
RefChem:122889DTXCID5077856calcium;4-hydroxybenzenesulfonateSCHEMBL119165JVEDXKIOAFPPPG-UHFFFAOYSA-Lcalcium bis(4-hydroxybenzenesulfonate)Calcium bis(4-hydroxybenzene-1-sulfonate)DB-230065
Database identifiers
- CAS
127-83-3- PubChem CID
- 31392
- DTXSID
DTXSID80155365- UNII
- 199995D30M
- EC Number
- 204-868-3
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 194
Related reactions
2 records
Compound notes
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