Phenyl pentadecane-1-sulfonate

C21H36O3SCAS 91082-17-6368.58 g/mol

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SOOO
Sulfonate ester

Properties

Molecular formula
C21H36O3S
Molar mass
368.58 g/mol
Exact mass
368.2385 Da
logP
6.49Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
16

Hazards

Not classified as hazardous under GHS by 101 ECHA notifiers. Aggregated from 101 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
91082-17-6
SMILES
CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1
InChIKey
UDKSLGIUCGAZTK-UHFFFAOYSA-N
InChI
InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3

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Names and synonyms

4 names
  • Phenyl 1-pentadecanesulfonate
  • 1-Pentadecanesulfonicacidphenylester
  • 1-Pentadecanesulfonic acid, phenyl ester
  • Mesamoll

Work with Phenyl pentadecane-1-sulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenyl stearate637-55-846 % similar Butyl phenyl ether1126-79-044 % similar Decylbenzene104-72-344 % similar Hexylbenzene1077-16-344 % similar Heptylbenzene1078-71-344 % similar n-Nonylbenzene1081-77-244 % similar Dodecylbenzene123-01-344 % similar Tridecylbenzene123-02-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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