2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid; 1-oxidanylbenzotriazole; hydrate

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid; 1-oxidanylbenzotriazole; hydrate Openeye Name: 1-hydroxybenzotriazole; 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid; hydrate CAS Name: 1-hydroxybenzotriazole; 2-[4-(2-hydroxyethyl)-1-piperazinyl]ethanesulfonic acid; hydrate IUPAC Name: 1-hydroxybenzotriazole; 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid; hydrate Traditional Name: 1-hydroxybenzotriazole; 2-[4-(2-hydroxyethyl)piperazino]ethanesulfonic acid; hydrate Formula: C14H25N5O6S MolecularWeight: 391.4432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CCS(=O)(=O)O.C1=CC=C2C(=C1)N=NN2O.O

Isomeric SMILES

C1CN(CCN1CCO)CCS(=O)(=O)O.C1=CC=C2C(=C1)N=NN2O.O

InChI

InChI=1S/C8H18N2O4S.C6H5N3O.H2O/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;10-9-6-4-2-1-3-5(6)7-8-9;/h11H,1-8H2,(H,12,13,14);1-4,10H;1H2