[2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-2-oxidanyl-propoxy]-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate

Systemtic Name: [2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-2-oxidanyl-propoxy]-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: [2-[3-(1,3-dioxoisoindolin-2-yl)oxy-2-hydroxy-propoxy]-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid [2-[3-[(1,3-dioxo-2-isoindolyl)oxy]-2-hydroxypropoxy]-4-methylphenyl] ester IUPAC Name: [2-[3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropoxy]-4-methylphenyl] 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid [2-(2-hydroxy-3-phthalimidooxy-propoxy)-4-methyl-phenyl] ester Formula: C25H23NO10S2 MolecularWeight: 561.58082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)OCC(CON3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)OCC(CON3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C25H23NO10S2/c1-16-10-11-22(36-38(32,33)19-7-5-6-18(13-19)37(2,30)31)23(12-16)34-14-17(27)15-35-26-24(28)20-8-3-4-9-21(20)25(26)29/h3-13,17,27H,14-15H2,1-2H3