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

Systemtic Name: butyl 5-[9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoate Openeye Name: butyl 5-(9,10-dioxo-2-anthryl)-5-methyl-hexanoate CAS Name: 5-(9,10-dioxo-2-anthracenyl)-5-methylhexanoic acid butyl ester IUPAC Name: butyl 5-(9,10-dioxoanthracen-2-yl)-5-methylhexanoate Traditional Name: 5-(9,10-diketo-2-anthryl)-5-methyl-hexanoic acid butyl ester Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCOC(=O)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C25H28O4/c1-4-5-15-29-22(26)11-8-14-25(2,3)17-12-13-20-21(16-17)24(28)19-10-7-6-9-18(19)23(20)27/h6-7,9-10,12-13,16H,4-5,8,11,14-15H2,1-3H3