hex-1-yne; 2-oxidanylisoindole-1,3-dione

Systemtic Name: hex-1-yne; 2-oxidanylisoindole-1,3-dione Openeye Name: hex-1-yne; 2-hydroxyisoindoline-1,3-dione CAS Name: 1-hexyne; 2-hydroxyisoindole-1,3-dione IUPAC Name: hex-1-yne; 2-hydroxyisoindole-1,3-dione Traditional Name: hex-1-yne; 2-hydroxyisoindoline-1,3-quinone Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#C.C1=CC=C2C(=C1)C(=O)N(C2=O)O

Isomeric SMILES

CCCCC#C.C1=CC=C2C(=C1)C(=O)N(C2=O)O

InChI

InChI=1S/C8H5NO3.C6H10/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-3-5-6-4-2/h1-4,12H;1H,4-6H2,2H3