2-[(1S)-1-oxidanylethyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[(1S)-1-oxidanylethyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[(1S)-1-hydroxyethyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[(1S)-1-hydroxyethyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[(1S)-1-hydroxyethyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[(1S)-1-hydroxyethyl]-3H-benzimidazole-5-sulfonic acid Formula: C9H10N2O4S MolecularWeight: 242.2517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O)O

Isomeric SMILES

C[C@@H](C1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C9H10N2O4S/c1-5(12)9-10-7-3-2-6(16(13,14)15)4-8(7)11-9/h2-5,12H,1H3,(H,10,11)(H,13,14,15)/t5-/m0/s1