14-[1,3-bis(oxidanylidene)isoindol-2-yl]tetradec-12-ynoic acid

Systemtic Name: 14-[1,3-bis(oxidanylidene)isoindol-2-yl]tetradec-12-ynoic acid Openeye Name: 14-(1,3-dioxoisoindolin-2-yl)tetradec-12-ynoic acid CAS Name: 14-(1,3-dioxo-2-isoindolyl)-12-tetradecynoic acid IUPAC Name: 14-(1,3-dioxoisoindol-2-yl)tetradec-12-ynoic acid Traditional Name: 14-phthalimidotetradec-12-ynoic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H27NO4/c24-20(25)16-10-8-6-4-2-1-3-5-7-9-13-17-23-21(26)18-14-11-12-15-19(18)22(23)27/h11-12,14-15H,1-8,10,16-17H2,(H,24,25)