2-[4-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanedioic acid

Systemtic Name: 2-[4-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanedioic acid Openeye Name: 2-(4-butyl-1,3-dioxo-isoindolin-2-yl)butanedioic acid CAS Name: 2-(4-butyl-1,3-dioxo-2-isoindolyl)butanedioic acid IUPAC Name: 2-(4-butyl-1,3-dioxoisoindol-2-yl)butanedioic acid Traditional Name: 2-(4-butyl-1,3-diketo-isoindolin-2-yl)succinic acid Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1C(=O)N(C2=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC2=C1C(=O)N(C2=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H17NO6/c1-2-3-5-9-6-4-7-10-13(9)15(21)17(14(10)20)11(16(22)23)8-12(18)19/h4,6-7,11H,2-3,5,8H2,1H3,(H,18,19)(H,22,23)