4-[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylbenzoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylbenzoic acid Openeye Name: 4-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carbonyl]benzoic acid CAS Name: 4-[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]benzoic acid IUPAC Name: 4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]benzoic acid Traditional Name: 4-[1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carbonyl]benzoic acid Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H17NO6/c23-18(12-3-5-13(6-4-12)21(26)27)14-7-8-16-17(10-14)20(25)22(19(16)24)11-15-2-1-9-28-15/h3-8,10,15H,1-2,9,11H2,(H,26,27)