hexyl 3-[7-(4-hexoxy-2-methyl-4-oxidanylidene-butan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]-3-methyl-butanoate

Systemtic Name: hexyl 3-[7-(4-hexoxy-2-methyl-4-oxidanylidene-butan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]-3-methyl-butanoate Openeye Name: hexyl 3-[7-(3-hexoxy-1,1-dimethyl-3-oxo-propyl)-9,10-dioxo-2-anthryl]-3-methyl-butanoate CAS Name: 3-[7-(4-hexoxy-2-methyl-4-oxobutan-2-yl)-9,10-dioxo-2-anthracenyl]-3-methylbutanoic acid hexyl ester IUPAC Name: hexyl 3-[7-(4-hexoxy-2-methyl-4-oxobutan-2-yl)-9,10-dioxoanthracen-2-yl]-3-methylbutanoate Traditional Name: 3-[7-(3-hexoxy-3-keto-1,1-dimethyl-propyl)-9,10-diketo-2-anthryl]-3-methyl-butyric acid hexyl ester Formula: C36H48O6 MolecularWeight: 576.76272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)CC(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)CC(=O)OCCCCCC

InChI

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