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

Systemtic Name: 4-[2-(3-ethynylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(3-ethynylphenyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(3-ethynylphenyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(3-ethynylphenyl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoic acid Formula: C23H13NO6S MolecularWeight: 431.41742

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H13NO6S/c1-2-14-4-3-5-16(12-14)24-21(25)19-11-10-18(13-20(19)22(24)26)31(29,30)17-8-6-15(7-9-17)23(27)28/h1,3-13H,(H,27,28)