2-[7-(4-phenylphenoxy)heptyl]isoindole-1,3-dione

Systemtic Name: 2-[7-(4-phenylphenoxy)heptyl]isoindole-1,3-dione Openeye Name: 2-[7-(4-phenylphenoxy)heptyl]isoindoline-1,3-dione CAS Name: 2-[7-(4-phenylphenoxy)heptyl]isoindole-1,3-dione IUPAC Name: 2-[7-(4-phenylphenoxy)heptyl]isoindole-1,3-dione Traditional Name: 2-[7-(4-phenylphenoxy)heptyl]isoindoline-1,3-quinone Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H27NO3/c29-26-24-13-7-8-14-25(24)27(30)28(26)19-9-2-1-3-10-20-31-23-17-15-22(16-18-23)21-11-5-4-6-12-21/h4-8,11-18H,1-3,9-10,19-20H2