ethanoic acid; 1-(3-oxidanylindol-1-yl)ethanone

Systemtic Name: ethanoic acid; 1-(3-oxidanylindol-1-yl)ethanone Openeye Name: acetic acid; 1-(3-hydroxyindol-1-yl)ethanone CAS Name: acetic acid; 1-(3-hydroxy-1-indolyl)ethanone IUPAC Name: acetic acid; 1-(3-hydroxyindol-1-yl)ethanone Traditional Name: acetic acid; 1-(3-hydroxyindol-1-yl)ethanone Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)O.CC(=O)O

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)O.CC(=O)O

InChI

InChI=1S/C10H9NO2.C2H4O2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11;1-2(3)4/h2-6,13H,1H3;1H3,(H,3,4)