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

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-3,3-bis(1-decyl-2-methyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 4,5,6,7-tetrachloro-3,3-bis(1-decyl-2-methyl-indol-3-yl)isobenzofuran-1-one CAS Name: 4,5,6,7-tetrachloro-3,3-bis(1-decyl-2-methyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 4,5,6,7-tetrachloro-3,3-bis(1-decyl-2-methylindol-3-yl)-2-benzofuran-1-one Traditional Name: 4,5,6,7-tetrachloro-3,3-bis(1-decyl-2-methyl-indol-3-yl)phthalide Formula: C46H56Cl4N2O2 MolecularWeight: 810.76104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=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)CCCCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCCCN1C(=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)CCCCCCCCCC)C)C

InChI

InChI=1S/C46H56Cl4N2O2/c1-5-7-9-11-13-15-17-23-29-51-31(3)38(33-25-19-21-27-35(33)51)46(40-37(45(53)54-46)41(47)43(49)44(50)42(40)48)39-32(4)52(36-28-22-20-26-34(36)39)30-24-18-16-14-12-10-8-6-2/h19-22,25-28H,5-18,23-24,29-30H2,1-4H3