2-[(5E)-5-(3-oxidanylidene-2-phenyl-isoindol-1-ylidene)oct-3-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[(5E)-5-(3-oxidanylidene-2-phenyl-isoindol-1-ylidene)oct-3-ynyl]isoindole-1,3-dione Openeye Name: 2-[(5E)-5-(3-oxo-2-phenyl-isoindolin-1-ylidene)oct-3-ynyl]isoindoline-1,3-dione CAS Name: 2-[(5E)-5-(3-oxo-2-phenyl-1-isoindolylidene)oct-3-ynyl]isoindole-1,3-dione IUPAC Name: 2-[(5E)-5-(3-oxo-2-phenylisoindol-1-ylidene)oct-3-ynyl]isoindole-1,3-dione Traditional Name: 2-[(5E)-5-(3-keto-2-phenyl-isoindolin-1-ylidene)oct-3-ynyl]isoindoline-1,3-quinone Formula: C30H24N2O3 MolecularWeight: 460.52316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C#CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCC/C(=C\1/C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)/C#CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C30H24N2O3/c1-2-12-21(13-10-11-20-31-28(33)25-18-8-9-19-26(25)29(31)34)27-23-16-6-7-17-24(23)30(35)32(27)22-14-4-3-5-15-22/h3-9,14-19H,2,11-12,20H2,1H3/b27-21+