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

Systemtic Name: 2-(3-hexoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(3-hexoxyphenyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(3-hexoxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(3-hexoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-(3-hexoxyphenyl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO5/c1-2-3-4-5-11-27-16-8-6-7-15(13-16)22-19(23)17-10-9-14(21(25)26)12-18(17)20(22)24/h6-10,12-13H,2-5,11H2,1H3,(H,25,26)