Molecule ID: 6070438

IUPAC Name: (E)-3-(4-sulfooxyphenyl)prop-2-enoic acid

Description: The molecule is an aryl sulfate that is (2E)-3-phenylprop-2-enoic acid which is substituted by a sulfooxy group at position 4. It is produced by the seagrass Zostera marina and has very promising antifouling potential against several micro- and macrofouling organisms. It has a role as an antifouling biocide and a plant metabolite. It is an aryl sulfate and a member of cinnamic acids.

SMILES: O=C(O)/C=C/c1ccc(OS(=O)(=O)O)cc1

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

InChI: InChI=1S/C9H8O6S/c10-9(11)6-3-7-1-4-8(5-2-7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)/b6-3+

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 0.9