[3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropoxy]-5-methyl-phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropoxy]-5-methyl-phenyl] 2-nitrobenzenesulfonate Openeye Name: [3-[3-(1,3-dioxoisoindolin-2-yl)oxypropoxy]-5-methyl-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [3-[3-[(1,3-dioxo-2-isoindolyl)oxy]propoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(1,3-dioxoisoindol-2-yl)oxypropoxy]-5-methylphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [3-methyl-5-(3-phthalimidooxypropoxy)phenyl] ester Formula: C24H20N2O9S MolecularWeight: 512.4886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCCCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCCCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H20N2O9S/c1-16-13-17(15-18(14-16)35-36(31,32)22-10-5-4-9-21(22)26(29)30)33-11-6-12-34-25-23(27)19-7-2-3-8-20(19)24(25)28/h2-5,7-10,13-15H,6,11-12H2,1H3