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

Systemtic Name: butyl 5-[6-(6-butoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoate Openeye Name: butyl 5-[6-(5-butoxy-1,1-dimethyl-5-oxo-pentyl)-9,10-dioxo-2-anthryl]-5-methyl-hexanoate CAS Name: 5-[6-(6-butoxy-2-methyl-6-oxohexan-2-yl)-9,10-dioxo-2-anthracenyl]-5-methylhexanoic acid butyl ester IUPAC Name: butyl 5-[6-(6-butoxy-2-methyl-6-oxohexan-2-yl)-9,10-dioxoanthracen-2-yl]-5-methylhexanoate Traditional Name: 5-[6-(5-butoxy-5-keto-1,1-dimethyl-pentyl)-9,10-diketo-2-anthryl]-5-methyl-hexanoic acid butyl ester Formula: C36H48O6 MolecularWeight: 576.76272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C(C)(C)CCCC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C(C)(C)CCCC(=O)OCCCC

InChI

InChI=1S/C36H48O6/c1-7-9-21-41-31(37)13-11-19-35(3,4)25-15-17-27-29(23-25)33(39)28-18-16-26(24-30(28)34(27)40)36(5,6)20-12-14-32(38)42-22-10-8-2/h15-18,23-24H,7-14,19-22H2,1-6H3