3,3-bis[4-(dihexylamino)phenyl]-6-(dimethylamino)-2-benzofuran-1-one

Systemtic Name: 3,3-bis[4-(dihexylamino)phenyl]-6-(dimethylamino)-2-benzofuran-1-one Openeye Name: 3,3-bis[4-(dihexylamino)phenyl]-6-(dimethylamino)isobenzofuran-1-one CAS Name: 3,3-bis[4-(dihexylamino)phenyl]-6-(dimethylamino)-1-isobenzofuranone IUPAC Name: 3,3-bis[4-(dihexylamino)phenyl]-6-(dimethylamino)-2-benzofuran-1-one Traditional Name: 3,3-bis[4-(dihexylamino)phenyl]-6-(dimethylamino)phthalide Formula: C46H69N3O2 MolecularWeight: 696.05896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(CCCCCC)CCCCCC

InChI

InChI=1S/C46H69N3O2/c1-7-11-15-19-33-48(34-20-16-12-8-2)40-27-23-38(24-28-40)46(44-32-31-42(47(5)6)37-43(44)45(50)51-46)39-25-29-41(30-26-39)49(35-21-17-13-9-3)36-22-18-14-10-4/h23-32,37H,7-22,33-36H2,1-6H3