2-azanyl-1,3-benzothiazole-6-sulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol

Systemtic Name: 2-azanyl-1,3-benzothiazole-6-sulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol Openeye Name: 2-amino-1,3-benzothiazole-6-sulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol CAS Name: 2-amino-1,3-benzothiazole-6-sulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-amino-1,3-benzothiazole-6-sulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol Traditional Name: 2-amino-1,3-benzothiazole-6-sulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol Formula: C13H21N3O6S2 MolecularWeight: 379.45234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)SC(=N2)N.C(CO)N(CCO)CCO

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)SC(=N2)N.C(CO)N(CCO)CCO

InChI

InChI=1S/C7H6N2O3S2.C6H15NO3/c8-7-9-5-2-1-4(14(10,11)12)3-6(5)13-7;8-4-1-7(2-5-9)3-6-10/h1-3H,(H2,8,9)(H,10,11,12);8-10H,1-6H2