3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one; 6-(dimethylamino)-3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one

Systemtic Name: 3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one; 6-(dimethylamino)-3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one Openeye Name: 3,3-bis(4-dimethylaminophenyl)isobenzofuran-1-one; 6-(dimethylamino)-3,3-bis(4-dimethylaminophenyl)isobenzofuran-1-one CAS Name: 3,3-bis(4-dimethylaminophenyl)-1-isobenzofuranone; 6-(dimethylamino)-3,3-bis(4-dimethylaminophenyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one; 6-(dimethylamino)-3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one Traditional Name: 3,3-bis(4-dimethylaminophenyl)phthalide; 6-(dimethylamino)-3,3-bis(4-dimethylaminophenyl)phthalide Formula: C50H53N5O4 MolecularWeight: 787.98692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C.CN(C)C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C.CN(C)C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H29N3O2.C24H24N2O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26;1-25(2)19-13-9-17(10-14-19)24(18-11-15-20(16-12-18)26(3)4)22-8-6-5-7-21(22)23(27)28-24/h7-17H,1-6H3;5-16H,1-4H3