disodium 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate hydrate

Systemtic Name: disodium 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate hydrate Openeye Name: disodium 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate hydrate CAS Name: disodium 2-[4-(2-sulfonatoethyl)-1-piperazinyl]ethanesulfonate hydrate IUPAC Name: disodium 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate hydrate Traditional Name: disodium 2-[4-(2-sulfonatoethyl)piperazino]ethanesulfonate hydrate Formula: C8H18N2Na2O7S2 MolecularWeight: 364.34726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].O.[Na+].[Na+]

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].O.[Na+].[Na+]

InChI

InChI=1S/C8H18N2O6S2.2Na.H2O/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);;;1H2/q;2*+1;/p-2