Sulfonium, dimethyl(4-((1-oxotetradecyl)oxy)phenyl)-, methyl sulfate

HCID 512643

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Basic information

CAS: 122533-49-7
Standard SMILES: CCCCCCCCCCCCCC(=O)Oc1ccc([S+](C)C)cc1.COS(=O)(=O)[O-]
InChIKey: XFJJCQQGVOSGAA-UHFFFAOYSA-M
Molecular formula: C23H40O6S2
Average molar mass: 476.7 g/mol
Monoisotopic mass: 476.22663134

Names & identifiers

Preferred name: Sulfonium, dimethyl(4-((1-oxotetradecyl)oxy)phenyl)-, methyl sulfate
IUPAC: dimethyl-(4-tetradecanoyloxyphenyl)sulfanium;methyl sulfate

Names & synonyms

122533-49-7Sulfonium, dimethyl(4-((1-oxotetradecyl)oxy)phenyl)-, methyl sulfateSulfonium, dimethyl[4-[(1-oxotetradecyl)oxy]phenyl]-, methyl sulfateDTXSID70153638Dimethyl[4-(tetradecanoyloxy)phenyl]sulfanium methyl sulfatedimethyl-(4-tetradecanoyloxyphenyl)sulfonium; methyl hydrogen sulfate

Database identifiers

CAS: 122533-49-7
PubChem CID: 512643
DTXSID: DTXSID70153638

Properties

Computed structural properties

Topological polar surface area: 102 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 15
Heavy atoms: 31
Formal charge: 0
Complexity: 413

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