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

Systemtic Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-benzoic acid Openeye Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxo-isoindolin-2-yl]-4-methyl-benzoic acid CAS Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxo-2-isoindolyl]-4-methylbenzoic acid IUPAC Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxoisoindol-2-yl]-4-methylbenzoic acid Traditional Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-diketo-isoindolin-2-yl]-4-methyl-benzoic acid Formula: C23H15NO8S MolecularWeight: 465.4321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15NO8S/c1-12-2-3-14(23(29)30)10-19(12)24-20(25)17-9-8-16(11-18(17)21(24)26)33(31,32)15-6-4-13(5-7-15)22(27)28/h2-11H,1H3,(H,27,28)(H,29,30)