[1,3-bis(oxidanylidene)-6-phenoxy-7-propoxy-isoindol-5-yl] benzenesulfonate

Systemtic Name: [1,3-bis(oxidanylidene)-6-phenoxy-7-propoxy-isoindol-5-yl] benzenesulfonate Openeye Name: (1,3-dioxo-6-phenoxy-7-propoxy-isoindolin-5-yl) benzenesulfonate CAS Name: benzenesulfonic acid (1,3-dioxo-6-phenoxy-7-propoxy-5-isoindolyl) ester IUPAC Name: (1,3-dioxo-6-phenoxy-7-propoxyisoindol-5-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (1,3-diketo-6-phenoxy-7-propoxy-isoindolin-5-yl) ester Formula: C23H19NO7S MolecularWeight: 453.46446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=CC(=C1OC3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4)C(=O)NC2=O

Isomeric SMILES

CCCOC1=C2C(=CC(=C1OC3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4)C(=O)NC2=O

InChI

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