ethanoic acid; 2-(6-oxidanylhexan-3-yl)isoindole-1,3-dione

Systemtic Name: ethanoic acid; 2-(6-oxidanylhexan-3-yl)isoindole-1,3-dione Openeye Name: acetic acid; 2-(1-ethyl-4-hydroxy-butyl)isoindoline-1,3-dione CAS Name: acetic acid; 2-(6-hydroxyhexan-3-yl)isoindole-1,3-dione IUPAC Name: acetic acid; 2-(6-hydroxyhexan-3-yl)isoindole-1,3-dione Traditional Name: acetic acid; 2-(1-ethyl-4-hydroxy-butyl)isoindoline-1,3-quinone Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCO)N1C(=O)C2=CC=CC=C2C1=O.CC(=O)O

Isomeric SMILES

CCC(CCCO)N1C(=O)C2=CC=CC=C2C1=O.CC(=O)O

InChI

InChI=1S/C14H17NO3.C2H4O2/c1-2-10(6-5-9-16)15-13(17)11-7-3-4-8-12(11)14(15)18;1-2(3)4/h3-4,7-8,10,16H,2,5-6,9H2,1H3;1H3,(H,3,4)