2-hexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-hexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-hexyl-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-hexyl-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-hexyl-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-hexyl-1,3-diketo-isoindoline-5-carboxylic acid Formula: C15H17NO4 MolecularWeight: 275.29978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17NO4/c1-2-3-4-5-8-16-13(17)11-7-6-10(15(19)20)9-12(11)14(16)18/h6-7,9H,2-5,8H2,1H3,(H,19,20)