8-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoyl-octanoate

Systemtic Name: 8-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoyl-octanoate Openeye Name: 2-acetyl-8-(1,3-dioxoisoindolin-2-yl)octanoate CAS Name: 2-acetyl-8-(1,3-dioxo-2-isoindolyl)octanoate IUPAC Name: 2-acetyl-8-(1,3-dioxoisoindol-2-yl)octanoate Traditional Name: 2-acetyl-8-phthalimido-caprylate Formula: C18H20NO5- MolecularWeight: 330.3551

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]

Isomeric SMILES

CC(=O)C(CCCCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]

InChI

InChI=1S/C18H21NO5/c1-12(20)13(18(23)24)8-4-2-3-7-11-19-16(21)14-9-5-6-10-15(14)17(19)22/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,23,24)/p-1