7-[1,3-bis(oxidanylidene)isoindol-2-yl]hept-5-ynoic acid

Systemtic Name: 7-[1,3-bis(oxidanylidene)isoindol-2-yl]hept-5-ynoic acid Openeye Name: 7-(1,3-dioxoisoindolin-2-yl)hept-5-ynoic acid CAS Name: 7-(1,3-dioxo-2-isoindolyl)-5-heptynoic acid IUPAC Name: 7-(1,3-dioxoisoindol-2-yl)hept-5-ynoic acid Traditional Name: 7-phthalimidohept-5-ynoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4/c17-13(18)9-3-1-2-6-10-16-14(19)11-7-4-5-8-12(11)15(16)20/h4-5,7-8H,1,3,9-10H2,(H,17,18)