Molecule ID: 3768578

IUPAC Name: 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonate

Description: The molecule is an organosulfonate oxoanion that is the conjugate base of menadione sulfonic acid, arising from deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a menadione sulfonic acid.

SMILES: CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O

SELFIES: [C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O]

InChI: InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/p-1

Molecular Properties:
- Polar Surface Area: 99.7 Ų
- LogP: 0.2