2-[bis(2-hydroxyethyl)amino]ethanol; 2-phenyl-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phenyl-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phenyl-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phenyl-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phenyl-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phenyl-3H-benzimidazole-5-sulfonic acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C13H10N2O3S.C6H15NO3/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;8-4-1-7(2-5-9)3-6-10/h1-8H,(H,14,15)(H,16,17,18);8-10H,1-6H2