2-methyl-2-[2-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]butanoic acid

Systemtic Name: 2-methyl-2-[2-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]butanoic acid Openeye Name: 2-[2-[(E)-3-hydroxy-2-methyl-3-oxo-prop-1-enyl]-1,3-dioxo-isoindolin-2-ium-2-yl]-2-methyl-butanoic acid CAS Name: 2-[2-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-1,3-dioxo-2-isoindol-2-iumyl]-2-methylbutanoic acid IUPAC Name: 2-[2-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-1,3-dioxoisoindol-2-ium-2-yl]-2-methylbutanoic acid Traditional Name: 2-[2-[(E)-3-hydroxy-3-keto-2-methyl-prop-1-enyl]-1,3-diketo-isoindolin-2-ium-2-yl]-2-methyl-butyric acid Formula: C17H18NO6+ MolecularWeight: 332.32792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)[N+]1(C(=O)C2=CC=CC=C2C1=O)C=C(C)C(=O)O

Isomeric SMILES

CCC(C)(C(=O)O)[N+]1(C(=O)C2=CC=CC=C2C1=O)/C=C(\C)/C(=O)O

InChI

InChI=1S/C17H17NO6/c1-4-17(3,16(23)24)18(9-10(2)15(21)22)13(19)11-7-5-6-8-12(11)14(18)20/h5-9H,4H2,1-3H3,(H-,21,22,23,24)/p+1/b10-9+