3-[5-(3,4-dimethylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name: 3-[5-(3,4-dimethylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 3-[5-(3,4-dimethylphenoxy)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 3-[5-(3,4-dimethylphenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 3-[5-(3,4-dimethylphenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 3-[5-(3,4-dimethylphenoxy)-1,3-diketo-isoindolin-2-yl]benzoic acid Formula: C23H17NO5 MolecularWeight: 387.38478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C23H17NO5/c1-13-6-7-17(10-14(13)2)29-18-8-9-19-20(12-18)22(26)24(21(19)25)16-5-3-4-15(11-16)23(27)28/h3-12H,1-2H3,(H,27,28)