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

Systemtic Name: 4-(4-oxidanylbut-1-ynyl)-2-phenyl-isoindole-1,3-dione Openeye Name: 4-(4-hydroxybut-1-ynyl)-2-phenyl-isoindoline-1,3-dione CAS Name: 4-(4-hydroxybut-1-ynyl)-2-phenylisoindole-1,3-dione IUPAC Name: 4-(4-hydroxybut-1-ynyl)-2-phenylisoindole-1,3-dione Traditional Name: 4-(4-hydroxybut-1-ynyl)-2-phenyl-isoindoline-1,3-quinone Formula: C18H13NO3 MolecularWeight: 291.30072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC(=C3C2=O)C#CCCO

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC(=C3C2=O)C#CCCO

InChI

InChI=1S/C18H13NO3/c20-12-5-4-7-13-8-6-11-15-16(13)18(22)19(17(15)21)14-9-2-1-3-10-14/h1-3,6,8-11,20H,5,12H2