3,3-bis[2,2-bis[4-(dibutylamino)phenyl]ethenyl]-4,5,6,7-tetrakis(chloranyl)-2-benzofuran-1-one

Systemtic Name: 3,3-bis[2,2-bis[4-(dibutylamino)phenyl]ethenyl]-4,5,6,7-tetrakis(chloranyl)-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis[4-(dibutylamino)phenyl]vinyl]-4,5,6,7-tetrachloro-isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis[4-(dibutylamino)phenyl]ethenyl]-4,5,6,7-tetrachloro-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis[4-(dibutylamino)phenyl]ethenyl]-4,5,6,7-tetrachloro-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis[4-(dibutylamino)phenyl]vinyl]-4,5,6,7-tetrachloro-phthalide Formula: C68H90Cl4N4O2 MolecularWeight: 1137.2798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=C(C=C1)C(=CC2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C=C(C4=CC=C(C=C4)N(CCCC)CCCC)C5=CC=C(C=C5)N(CCCC)CCCC)C6=CC=C(C=C6)N(CCCC)CCCC

Isomeric SMILES

CCCCN(CCCC)C1=CC=C(C=C1)C(=CC2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C=C(C4=CC=C(C=C4)N(CCCC)CCCC)C5=CC=C(C=C5)N(CCCC)CCCC)C6=CC=C(C=C6)N(CCCC)CCCC

InChI

InChI=1S/C68H90Cl4N4O2/c1-9-17-41-73(42-18-10-2)55-33-25-51(26-34-55)59(52-27-35-56(36-28-52)74(43-19-11-3)44-20-12-4)49-68(62-61(67(77)78-68)63(69)65(71)66(72)64(62)70)50-60(53-29-37-57(38-30-53)75(45-21-13-5)46-22-14-6)54-31-39-58(40-32-54)76(47-23-15-7)48-24-16-8/h25-40,49-50H,9-24,41-48H2,1-8H3