Molecule ID: 24796650

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

Description: The molecule is a sulfuric ester obtained by the formal condensation of (3Z)-dodec-3-en-1-ol with sulfuric acid. It has a role as a Daphnia pulex metabolite and a kairomone. It is an organic sulfate and a sulfuric ester. It is a conjugate acid of a (3Z)-dodec-3-en-1-yl 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]

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)/b10-9-

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 4.2