3,3-bis[4-(dioctylamino)phenyl]-2-benzofuran-1-one

Systemtic Name: 3,3-bis[4-(dioctylamino)phenyl]-2-benzofuran-1-one Openeye Name: 3,3-bis[4-(dioctylamino)phenyl]isobenzofuran-1-one CAS Name: 3,3-bis[4-(dioctylamino)phenyl]-1-isobenzofuranone IUPAC Name: 3,3-bis[4-(dioctylamino)phenyl]-2-benzofuran-1-one Traditional Name: 3,3-bis[4-(dioctylamino)phenyl]phthalide Formula: C52H80N2O2 MolecularWeight: 765.2038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N(CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N(CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C52H80N2O2/c1-5-9-13-17-21-27-41-53(42-28-22-18-14-10-6-2)47-37-33-45(34-38-47)52(50-32-26-25-31-49(50)51(55)56-52)46-35-39-48(40-36-46)54(43-29-23-19-15-11-7-3)44-30-24-20-16-12-8-4/h25-26,31-40H,5-24,27-30,41-44H2,1-4H3