2-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-hydroxybut-1-ynyl)benzyl]isoindoline-1,3-quinone Formula: C19H15NO3 MolecularWeight: 305.3273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C#CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C#CCCO

InChI

InChI=1S/C19H15NO3/c21-12-4-3-5-14-8-10-15(11-9-14)13-20-18(22)16-6-1-2-7-17(16)19(20)23/h1-2,6-11,21H,4,12-13H2