3,5,5-tris(1-heptan-2-yl-5-iodanyl-indol-3-yl)furan-2-one

Systemtic Name: 3,5,5-tris(1-heptan-2-yl-5-iodanyl-indol-3-yl)furan-2-one Openeye Name: 3,5,5-tris[5-iodo-1-(1-methylhexyl)indol-3-yl]furan-2-one CAS Name: 3,5,5-tris(1-heptan-2-yl-5-iodo-3-indolyl)-2-furanone IUPAC Name: 3,5,5-tris(1-heptan-2-yl-5-iodoindol-3-yl)furan-2-one Traditional Name: 3,5,5-tris[5-iodo-1-(1-methylhexyl)indol-3-yl]furan-2-one Formula: C49H58I3N3O2 MolecularWeight: 1101.71713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N1C=C(C2=C1C=CC(=C2)I)C3=CC(OC3=O)(C4=CN(C5=C4C=C(C=C5)I)C(C)CCCCC)C6=CN(C7=C6C=C(C=C7)I)C(C)CCCCC

Isomeric SMILES

CCCCCC(C)N1C=C(C2=C1C=CC(=C2)I)C3=CC(OC3=O)(C4=CN(C5=C4C=C(C=C5)I)C(C)CCCCC)C6=CN(C7=C6C=C(C=C7)I)C(C)CCCCC

InChI

InChI=1S/C49H58I3N3O2/c1-7-10-13-16-32(4)53-29-42(38-25-35(50)19-22-45(38)53)41-28-49(57-48(41)56,43-30-54(33(5)17-14-11-8-2)46-23-20-36(51)26-39(43)46)44-31-55(34(6)18-15-12-9-3)47-24-21-37(52)27-40(44)47/h19-34H,7-18H2,1-6H3