Molecule ID: 53803570

IUPAC Name: (4-ethenyl-2-methoxyphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is 4-vinylcatechol in which the two phenolic hydrogens are replaced by methyl and sulfo groups. It is an aryl sulfate, a monomethoxybenzene and a member of styrenes. It derives from a catechol. It is a conjugate acid of a 4-vinylguaiacol sulfate(1-).

SMILES: C=Cc1ccc(OS(=O)(=O)O)c(OC)c1

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

InChI: InChI=1S/C9H10O5S/c1-3-7-4-5-8(9(6-7)13-2)14-15(10,11)12/h3-6H,1H2,2H3,(H,10,11,12)

Molecular Properties:
- Polar Surface Area: 81.2 Ų
- LogP: 1.7