Molecule ID: 24796649

IUPAC Name: [(Z)-dodec-3-enyl] sulfate

Description: The molecule is an organosulfate oxoanion that is the conjugate base of (3Z)-dodec-3-en-1-yl 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 (3Z)-dodec-3-en-1-yl hydrogen sulfate.

SMILES: CCCCCCCC/C=C\CCOS(=O)(=O)[O-]

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

InChI: InChI=1S/C12H24O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h9-10H,2-8,11-12H2,1H3,(H,13,14,15)/p-1/b10-9-

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 4.1