2-(4-octoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(4-octoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(4-octoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-[octoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(4-octoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-(4-octoxycarbonylphenyl)isoindoline-5-carboxylic acid Formula: C24H25NO6 MolecularWeight: 423.4584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6/c1-2-3-4-5-6-7-14-31-24(30)16-8-11-18(12-9-16)25-21(26)19-13-10-17(23(28)29)15-20(19)22(25)27/h8-13,15H,2-7,14H2,1H3,(H,28,29)