Molecule ID: 10637

IUPAC Name: 3,4-dioxonaphthalene-1-sulfonic acid

Description: The molecule is an arenesulfonic acid that is 1,2-naphthoquinone substituted at position 4 with a sulfonic acid group. Used principally as a reagent in colorimetric determinations. It has a role as a colorimetric reagent. It is an arenesulfonic acid and a naphthalenone.

SMILES: O=C1C=C(S(=O)(=O)O)c2ccccc2C1=O

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

InChI: InChI=1S/C10H6O5S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,(H,13,14,15)

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: 0.0