3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropyl 2-cyanobenzenesulfonate

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropyl 2-cyanobenzenesulfonate Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)oxypropyl 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid 3-[(1,3-dioxo-2-isoindolyl)oxy]propyl ester IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)oxypropyl 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid 3-phthalimidooxypropyl ester Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)S(=O)(=O)OCCCON2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)S(=O)(=O)OCCCON2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H14N2O6S/c19-12-13-6-1-4-9-16(13)27(23,24)26-11-5-10-25-20-17(21)14-7-2-3-8-15(14)18(20)22/h1-4,6-9H,5,10-11H2