Molecule ID: 23665888

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

Description: The molecule is an organic sodium salt that is the monosodium salt of menadione sulfonate. A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted into active vitamin K2, menaquinone, after alkylation in vivo. It contains a menadione sulfonate. It derives from a menadione.

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

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].[Na+1]

InChI: InChI=1S/C11H10O5S.Na/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);/q;+1/p-1

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