2-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-methylbenzenesulfonate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-phthalimidopropyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO5S/c1-12-7-9-14(10-8-12)25(22,23)24-11-13(2)19-17(20)15-5-3-4-6-16(15)18(19)21/h3-10,13H,11H2,1-2H3