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

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[1,3-diketo-2-(tetrahydrofurfuryl)isoindolin-5-yl]sulfonylbenzoic acid Formula: C20H17NO7S MolecularWeight: 415.41648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO7S/c22-18-16-8-7-15(29(26,27)14-5-3-12(4-6-14)20(24)25)10-17(16)19(23)21(18)11-13-2-1-9-28-13/h3-8,10,13H,1-2,9,11H2,(H,24,25)