2-oxidanyl-2-phenyl-ethanoic acid; spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide

Systemtic Name: 2-oxidanyl-2-phenyl-ethanoic acid; spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide Openeye Name: 2-hydroxy-2-phenyl-acetic acid; spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide CAS Name: 2-hydroxy-2-phenylacetic acid; spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide IUPAC Name: 2-hydroxy-2-phenylacetic acid; spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide Traditional Name: madelic acid; spiro[1H-isobenzothiophene-3,4'-piperidine] 2-oxide Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC12C3=CC=CC=C3CS2=O.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

C1CNCCC12C3=CC=CC=C3CS2=O.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C12H15NOS.C8H8O3/c14-15-9-10-3-1-2-4-11(10)12(15)5-7-13-8-6-12;9-7(8(10)11)6-4-2-1-3-5-6/h1-4,13H,5-9H2;1-5,7,9H,(H,10,11)