4-[2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoate

Systemtic Name: 4-[2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoate Openeye Name: 4-[2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoate CAS Name: 4-[[2-[4-[(4-nitrophenyl)thio]phenyl]-1,3-dioxo-5-isoindolyl]sulfonyl]benzoate IUPAC Name: 4-[2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindol-5-yl]sulfonylbenzoate Traditional Name: 4-[1,3-diketo-2-[4-[(4-nitrophenyl)thio]phenyl]isoindolin-5-yl]sulfonylbenzoate Formula: C27H15N2O8S2- MolecularWeight: 559.5466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H16N2O8S2/c30-25-23-14-13-22(39(36,37)21-11-1-16(2-12-21)27(32)33)15-24(23)26(31)28(25)17-3-7-19(8-4-17)38-20-9-5-18(6-10-20)29(34)35/h1-15H,(H,32,33)/p-1