Molecule ID: 5003059

IUPAC Name: decyl sulfate

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

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

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

InChI: InChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 3.6