2-ethynyl-2-(2-hydroxyphenyl)isoindol-2-ium-1,3-dione

Systemtic Name: 2-ethynyl-2-(2-hydroxyphenyl)isoindol-2-ium-1,3-dione Openeye Name: 2-ethynyl-2-(2-hydroxyphenyl)isoindolin-2-ium-1,3-dione CAS Name: 2-ethynyl-2-(2-hydroxyphenyl)isoindol-2-ium-1,3-dione IUPAC Name: 2-ethynyl-2-(2-hydroxyphenyl)isoindol-2-ium-1,3-dione Traditional Name: 2-ethynyl-2-(2-hydroxyphenyl)isoindolin-2-ium-1,3-quinone Formula: C16H10NO3+ MolecularWeight: 264.2555

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Descriptors Computed from Structure

Canonical SMILES:

C#C[N+]1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3O

Isomeric SMILES

C#C[N+]1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3O

InChI

InChI=1S/C16H9NO3/c1-2-17(13-9-5-6-10-14(13)18)15(19)11-7-3-4-8-12(11)16(17)20/h1,3-10H/p+1