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

Systemtic Name: hexyl 3-[9,10-bis(oxidanylidene)anthracen-2-yl]-3-methyl-butanoate Openeye Name: hexyl 3-(9,10-dioxo-2-anthryl)-3-methyl-butanoate CAS Name: 3-(9,10-dioxo-2-anthracenyl)-3-methylbutanoic acid hexyl ester IUPAC Name: hexyl 3-(9,10-dioxoanthracen-2-yl)-3-methylbutanoate Traditional Name: 3-(9,10-diketo-2-anthryl)-3-methyl-butyric acid hexyl ester Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCOC(=O)CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C25H28O4/c1-4-5-6-9-14-29-22(26)16-25(2,3)17-12-13-20-21(15-17)24(28)19-11-8-7-10-18(19)23(20)27/h7-8,10-13,15H,4-6,9,14,16H2,1-3H3