octadecyl 5-methyl-5-[6-(2-methyl-6-octadecoxy-6-oxidanylidene-hexan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]hexanoate

Systemtic Name: octadecyl 5-methyl-5-[6-(2-methyl-6-octadecoxy-6-oxidanylidene-hexan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]hexanoate Openeye Name: octadecyl 5-[6-(1,1-dimethyl-5-octadecoxy-5-oxo-pentyl)-9,10-dioxo-2-anthryl]-5-methyl-hexanoate CAS Name: 5-methyl-5-[6-(2-methyl-6-octadecoxy-6-oxohexan-2-yl)-9,10-dioxo-2-anthracenyl]hexanoic acid octadecyl ester IUPAC Name: octadecyl 5-methyl-5-[6-(2-methyl-6-octadecoxy-6-oxohexan-2-yl)-9,10-dioxoanthracen-2-yl]hexanoate Traditional Name: 5-[9,10-diketo-6-(5-keto-1,1-dimethyl-5-stearyloxy-pentyl)-2-anthryl]-5-methyl-hexanoic acid stearyl ester Formula: C64H104O6 MolecularWeight: 969.50696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C64H104O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69-59(65)41-39-47-63(3,4)53-43-45-55-57(51-53)61(67)56-46-44-54(52-58(56)62(55)68)64(5,6)48-40-42-60(66)70-50-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h43-46,51-52H,7-42,47-50H2,1-6H3