[2-[1,3-bis(oxidanylidene)-4-propoxy-isoindol-5-yl]oxyphenyl] benzenesulfonate

Systemtic Name: [2-[1,3-bis(oxidanylidene)-4-propoxy-isoindol-5-yl]oxyphenyl] benzenesulfonate Openeye Name: [2-(1,3-dioxo-4-propoxy-isoindolin-5-yl)oxyphenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(1,3-dioxo-4-propoxy-5-isoindolyl)oxy]phenyl] ester IUPAC Name: [2-(1,3-dioxo-4-propoxyisoindol-5-yl)oxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(1,3-diketo-4-propoxy-isoindolin-5-yl)oxyphenyl] ester Formula: C23H19NO7S MolecularWeight: 453.46446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC2=C1C(=O)NC2=O)OC3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=C(C=CC2=C1C(=O)NC2=O)OC3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19NO7S/c1-2-14-29-21-19(13-12-16-20(21)23(26)24-22(16)25)30-17-10-6-7-11-18(17)31-32(27,28)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,24,25,26)