Molecule ID: 498033

IUPAC Name: 2-ethylhexyl sulfate

Description: The molecule is a organosulfate oxoanion that is the conjugate base of 2-ethylhexyl sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a 2-ethylhexyl sulfate.

SMILES: CCCCC(CC)COS(=O)(=O)[O-]

SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

InChI: InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 2.6