Molecule ID: 173553

IUPAC Name: disodium;2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate

Description: The molecule is an organic salt, being the disodium salt of 2,2'-piperazine-1,4-diylbisethanesulfonic acid (PIPES), a buffering agent. It has a role as a buffer. It contains a 2,2'-piperazine-1,4-diylbisethanesulfonate.

SMILES: O=S(=O)([O-])CCN1CCN(CCS(=O)(=O)[O-])CC1.[Na+].[Na+]

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O-1][C][C][N][C][C][N][Branch1][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][C][Ring1][N].[Na+1].[Na+1]

InChI: InChI=1S/C8H18N2O6S2.2Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;/h1-8H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: nan