2-[2-(4-azanylphenoxy)ethyl]isoindole-1,3-dione; methanesulfonic acid

Systemtic Name: 2-[2-(4-azanylphenoxy)ethyl]isoindole-1,3-dione; methanesulfonic acid Openeye Name: 2-[2-(4-aminophenoxy)ethyl]isoindoline-1,3-dione; methanesulfonic acid CAS Name: 2-[2-(4-aminophenoxy)ethyl]isoindole-1,3-dione; methanesulfonic acid IUPAC Name: 2-[2-(4-aminophenoxy)ethyl]isoindole-1,3-dione; methanesulfonic acid Traditional Name: 2-[2-(4-aminophenoxy)ethyl]isoindoline-1,3-quinone; mesylic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC3=CC=C(C=C3)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC3=CC=C(C=C3)N

InChI

InChI=1S/C16H14N2O3.CH4O3S/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20;1-5(2,3)4/h1-8H,9-10,17H2;1H3,(H,2,3,4)