2-oxidanyl-3-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]propane-1-sulfonic acid dihydrate

Systemtic Name: 2-oxidanyl-3-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]propane-1-sulfonic acid dihydrate Openeye Name: 2-hydroxy-3-[4-(2-hydroxy-3-sulfo-propyl)piperazin-1-yl]propane-1-sulfonic acid dihydrate CAS Name: 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)-1-piperazinyl]-1-propanesulfonic acid dihydrate IUPAC Name: 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid dihydrate Traditional Name: 2-hydroxy-3-[4-(2-hydroxy-3-sulfo-propyl)piperazino]propane-1-sulfonic acid dihydrate Formula: C10H26N2O10S2 MolecularWeight: 398.45084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O.O.O

Isomeric SMILES

C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O.O.O

InChI

InChI=1S/C10H22N2O8S2.2H2O/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20;;/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20);2*1H2