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

Systemtic Name: [3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropoxy]-5-methyl-phenyl] benzenesulfonate Openeye Name: [3-[3-(1,3-dioxoisoindolin-2-yl)oxypropoxy]-5-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [3-methyl-5-(3-phthalimidooxypropoxy)phenyl] ester Formula: C24H21NO7S MolecularWeight: 467.49104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO7S/c1-17-14-18(16-19(15-17)32-33(28,29)20-8-3-2-4-9-20)30-12-7-13-31-25-23(26)21-10-5-6-11-22(21)24(25)27/h2-6,8-11,14-16H,7,12-13H2,1H3