Benzyltriphenylphosphonium, salt with 4-octylphenol (1:1)

HCID 44153261

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Basic information

CAS: 93839-60-2
Standard SMILES: CCCCCCCCc1ccc([O-])cc1.c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey: XBFQQHNOIBDWIQ-UHFFFAOYSA-M
Molecular formula: C39H43OP
Average molar mass: 558.7 g/mol
Monoisotopic mass: 558.30515299

Names & identifiers

Preferred name: Benzyltriphenylphosphonium, salt with 4-octylphenol (1:1)
IUPAC: benzyl(triphenyl)phosphanium;4-octylphenolate

Names & synonyms

EINECS 298-830-3Benzyltriphenylphosphonium, salt with 4-octylphenol (1:1)93839-60-2DTXSID60917640Benzyl(triphenyl)phosphanium 4-octylphenolateBenzyltri(phenyl)phosphanium 4-octylphenolate

Database identifiers

CAS: 93839-60-2
PubChem CID: 44153261
DTXSID: DTXSID60917640
EC Number: 298-830-3

Properties

Computed structural properties

Topological polar surface area: 23.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 12
Heavy atoms: 41
Formal charge: 0
Complexity: 483

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