Molecule ID: 66633409

IUPAC Name: (4-prop-2-enylphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is chavicol in which the phenolic hydrogen has been replaced by a sulfo group. It is an aryl sulfate and an olefinic compound. It derives from a chavicol. It is a conjugate acid of a chavicol sulfate.

SMILES: C=CCc1ccc(OS(=O)(=O)O)cc1

SELFIES: [C][=C][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O]

InChI: InChI=1S/C9H10O4S/c1-2-3-8-4-6-9(7-5-8)13-14(10,11)12/h2,4-7H,1,3H2,(H,10,11,12)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 2.0