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

Systemtic Name: 8-[1,3-bis(oxidanylidene)isoindol-2-yl]octanoic acid Openeye Name: 8-(1,3-dioxoisoindolin-2-yl)octanoic acid CAS Name: 8-(1,3-dioxo-2-isoindolyl)octanoic acid IUPAC Name: 8-(1,3-dioxoisoindol-2-yl)octanoic acid Traditional Name: 8-phthalimidocaprylic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c18-14(19)10-4-2-1-3-7-11-17-15(20)12-8-5-6-9-13(12)16(17)21/h5-6,8-9H,1-4,7,10-11H2,(H,18,19)