4,5,6,7-tetrakis(chloranyl)-3,3-bis(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-3,3-bis(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C42H48Cl4N2O2 MolecularWeight: 754.65472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C

InChI

InChI=1S/C42H48Cl4N2O2/c1-5-7-9-11-13-19-25-47-27(3)34(29-21-15-17-23-31(29)47)42(36-33(41(49)50-42)37(43)39(45)40(46)38(36)44)35-28(4)48(26-20-14-12-10-8-6-2)32-24-18-16-22-30(32)35/h15-18,21-24H,5-14,19-20,25-26H2,1-4H3