Molecule ID: 5121662

IUPAC Name: octyl sulfate

Description: The molecule is an organosulfate oxoanion that is the conjugate base of octyl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has a role as a Daphnia pulex metabolite, a kairomone and a marine metabolite. It is a conjugate base of an octyl hydrogen sulfate.

SMILES: CCCCCCCCOS(=O)(=O)[O-]

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

InChI: InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 2.5