[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-(1,3-dioxoisoindolin-2-yl)-3-hydroxy-3-(4-nitrophenyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1,3-dioxo-2-isoindolyl)-3-hydroxy-3-(4-nitrophenyl)propyl] ester IUPAC Name: [2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-(4-nitrophenyl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-hydroxy-3-(4-nitrophenyl)-2-phthalimido-propyl] ester Formula: C24H20N2O8S MolecularWeight: 496.4892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H20N2O8S/c1-15-6-12-18(13-7-15)35(32,33)34-14-21(22(27)16-8-10-17(11-9-16)26(30)31)25-23(28)19-4-2-3-5-20(19)24(25)29/h2-13,21-22,27H,14H2,1H3