Molecule ID: 135398111

IUPAC Name: 2-butyloctyl sulfate

Description: The molecule is an organosulfate oxoanion that is the conjugate base of 2-butyloctyl hydrogen sulfate, obtained by deprotonation of the sulfate group. Major microspecies at pH 7.3. It is a conjugate base of a 2-butyloctyl hydrogen sulfate.

SMILES: CCCCCCC(CCCC)COS(=O)(=O)[O-]

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

InChI: InChI=1S/C12H26O4S/c1-3-5-7-8-10-12(9-6-4-2)11-16-17(13,14)15/h12H,3-11H2,1-2H3,(H,13,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 4.4