8-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-octanoic acid

Systemtic Name: 8-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-octanoic acid Openeye Name: 8-(1,3-dioxoisoindolin-2-yl)-3-oxo-octanoic acid CAS Name: 8-(1,3-dioxo-2-isoindolyl)-3-oxooctanoic acid IUPAC Name: 8-(1,3-dioxoisoindol-2-yl)-3-oxooctanoic acid Traditional Name: 3-keto-8-phthalimido-caprylic acid Formula: C16H17NO5 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)CC(=O)O

InChI

InChI=1S/C16H17NO5/c18-11(10-14(19)20)6-2-1-5-9-17-15(21)12-7-3-4-8-13(12)16(17)22/h3-4,7-8H,1-2,5-6,9-10H2,(H,19,20)