Molecule ID: 184679

IUPAC Name: (2S)-2-(6-sulfooxynaphthalen-2-yl)propanoic acid

Description: The molecule is a member of the class of naphthalenes that is naproxen in which the methoxy group has been replaced by a sulfooxy group. It has a role as a drug metabolite and a fungal xenobiotic metabolite. It is an aryl sulfate, a member of naphthalenes and a monocarboxylic acid. It derives from a naproxen. It is a conjugate acid of a desmethylnaproxen sulfate anion.

SMILES: C[C@H](C(=O)O)c1ccc2cc(OS(=O)(=O)O)ccc2c1

SELFIES: [C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][Ring1][O][=C][Ring1][#C]

InChI: InChI=1S/C13H12O6S/c1-8(13(14)15)9-2-3-11-7-12(19-20(16,17)18)5-4-10(11)6-9/h2-8H,1H3,(H,14,15)(H,16,17,18)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 2.4