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

Systemtic Name: [3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-[3-(1,3-dioxoisoindolin-2-yl)oxypropoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic 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-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-methyl-5-(3-phthalimidooxypropoxy)phenyl] ester Formula: C25H20N2O7S MolecularWeight: 492.5005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCCCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCCCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H20N2O7S/c1-17-13-19(15-20(14-17)34-35(30,31)23-10-5-2-7-18(23)16-26)32-11-6-12-33-27-24(28)21-8-3-4-9-22(21)25(27)29/h2-5,7-10,13-15H,6,11-12H2,1H3