2-acetyloxy-2-oxidanyl-2-phenyl-ethanoic acid; pyridin-2-ylmethanol; hydrochloride

Systemtic Name: 2-acetyloxy-2-oxidanyl-2-phenyl-ethanoic acid; pyridin-2-ylmethanol; hydrochloride Openeye Name: 2-acetoxy-2-hydroxy-2-phenyl-acetic acid; 2-pyridylmethanol; hydrochloride CAS Name: 2-acetyloxy-2-hydroxy-2-phenylacetic acid; 2-pyridinylmethanol; hydrochloride IUPAC Name: 2-acetyloxy-2-hydroxy-2-phenylacetic acid; pyridin-2-ylmethanol; hydrochloride Traditional Name: 2-acetoxy-2-hydroxy-2-phenyl-acetic acid; 2-pyridylmethanol; hydrochloride Formula: C16H18ClNO6 MolecularWeight: 355.77022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)(C(=O)O)O.C1=CC=NC(=C1)CO.Cl

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)(C(=O)O)O.C1=CC=NC(=C1)CO.Cl

InChI

InChI=1S/C10H10O5.C6H7NO.ClH/c1-7(11)15-10(14,9(12)13)8-5-3-2-4-6-8;8-5-6-3-1-2-4-7-6;/h2-6,14H,1H3,(H,12,13);1-4,8H,5H2;1H