Basic information
- CAS
70161-99-8- Standard SMILES
CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
AHUVYSKSWOLNLW-UHFFFAOYSA-N- Molecular formula
- C26H20Cl4O4S
- Average molar mass
- 570.3 g/mol
- Monoisotopic mass
- 567.983641
Overview
a mixture of chlorfenethol and ovex; Merck Index says ovex and mitran are the same compound
Names & identifiers
- Preferred name
- Mitran
- IUPAC
- 1,1-bis(4-chlorophenyl)ethanol;(4-chlorophenyl) 4-chlorobenzenesulfonate
- English name
- mitran
- Molecular formula
- C14H12Cl2O.C12H8Cl2O3S
- Molecular weight
- 570.318
Names & synonyms
70161-99-8DTXSID30220431RefChem:159117DTXCID30142922MitranCpcbs-bcpe mixt.1,1-bis(4-chlorophenyl)ethanol;(4-chlorophenyl) 4-chlorobenzenesulfonateBenzenesulfonic acid, 4-chloro-, 4-chlorophenyl ester, mixt. with 4-chloro-alpha-(4-chlorophenyl)-alpha-methylbenzenemethanol4-Chlorophenyl 4-chlorobenzene-1-sulfonate--1,1-bis(4-chlorophenyl)ethan-1-ol (1/1)
Database identifiers
- CAS
70161-99-8- PubChem CID
- 129808
- DTXSID
DTXSID30220431
Properties
Computed structural properties
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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