octadecyl 3-methyl-3-[6-(2-methyl-4-octadecoxy-4-oxidanylidene-butan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]butanoate

Systemtic Name: octadecyl 3-methyl-3-[6-(2-methyl-4-octadecoxy-4-oxidanylidene-butan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]butanoate Openeye Name: octadecyl 3-[6-(1,1-dimethyl-3-octadecoxy-3-oxo-propyl)-9,10-dioxo-2-anthryl]-3-methyl-butanoate CAS Name: 3-methyl-3-[6-(2-methyl-4-octadecoxy-4-oxobutan-2-yl)-9,10-dioxo-2-anthracenyl]butanoic acid octadecyl ester IUPAC Name: octadecyl 3-methyl-3-[6-(2-methyl-4-octadecoxy-4-oxobutan-2-yl)-9,10-dioxoanthracen-2-yl]butanoate Traditional Name: 3-[9,10-diketo-6-(3-keto-1,1-dimethyl-3-stearyloxy-propyl)-2-anthryl]-3-methyl-butyric acid stearyl ester Formula: C60H96O6 MolecularWeight: 913.40064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C60H96O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-65-55(61)47-59(3,4)49-39-41-51-53(45-49)57(63)52-42-40-50(46-54(52)58(51)64)60(5,6)48-56(62)66-44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h39-42,45-46H,7-38,43-44,47-48H2,1-6H3