1-[8-octadecyl-3-[6-(8-octadecylquinolin-3-yl)-6-oxidanylidene-hexanoyl]quinolin-7-yl]-6-(8-octadecylquinolin-3-yl)hexane-1,6-dione

Systemtic Name: 1-[8-octadecyl-3-[6-(8-octadecylquinolin-3-yl)-6-oxidanylidene-hexanoyl]quinolin-7-yl]-6-(8-octadecylquinolin-3-yl)hexane-1,6-dione Openeye Name: 1-[8-octadecyl-3-[6-(8-octadecyl-3-quinolyl)-6-oxo-hexanoyl]-7-quinolyl]-6-(8-octadecyl-3-quinolyl)hexane-1,6-dione CAS Name: 1-[8-octadecyl-3-[6-(8-octadecyl-3-quinolinyl)-1,6-dioxohexyl]-7-quinolinyl]-6-(8-octadecyl-3-quinolinyl)hexane-1,6-dione IUPAC Name: 1-[8-octadecyl-3-[6-(8-octadecylquinolin-3-yl)-6-oxohexanoyl]quinolin-7-yl]-6-(8-octadecylquinolin-3-yl)hexane-1,6-dione Traditional Name: 1-[3-[6-keto-6-(8-stearyl-3-quinolyl)hexanoyl]-8-stearyl-7-quinolyl]-6-(8-stearyl-3-quinolyl)hexane-1,6-dione Formula: C93H141N3O4 MolecularWeight: 1365.13234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC2=CC(=CN=C21)C(=O)CCCCC(=O)C3=C(C4=NC=C(C=C4C=C3)C(=O)CCCCC(=O)C5=CN=C6C(=C5)C=CC=C6CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC2=CC(=CN=C21)C(=O)CCCCC(=O)C3=C(C4=NC=C(C=C4C=C3)C(=O)CCCCC(=O)C5=CN=C6C(=C5)C=CC=C6CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C93H141N3O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58-77-60-56-62-79-71-82(74-94-91(77)79)87(97)65-52-53-66-89(99)84-73-81-69-70-85(86(93(81)96-76-84)64-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)90(100)68-55-54-67-88(98)83-72-80-63-57-61-78(92(80)95-75-83)59-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h56-57,60-63,69-76H,4-55,58-59,64-68H2,1-3H3