Molecule ID: 7058076

IUPAC Name: hexadecanedioate

Description: The molecule is a dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of hexadecanedioic acid; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a hexadecanedioic acid.

SMILES: O=C([O-])CCCCCCCCCCCCCCC(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)/p-2

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 6.7