Molecule ID: 24796644

IUPAC Name: 7-methyloctyl sulfate

Description: The molecule is an organosulfate oxoanion that is the conjugate base of 7-methyloctyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has a role as a kairomone and a Daphnia pulex metabolite. It is a conjugate base of a 7-methyloctyl hydrogen sulfate.

SMILES: CC(C)CCCCCCOS(=O)(=O)[O-]

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

InChI: InChI=1S/C9H20O4S/c1-9(2)7-5-3-4-6-8-13-14(10,11)12/h9H,3-8H2,1-2H3,(H,10,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 2.7