methyl 7-[9,10-bis(oxidanylidene)anthracen-2-yl]-3,7-dimethyl-octanoate

Systemtic Name: methyl 7-[9,10-bis(oxidanylidene)anthracen-2-yl]-3,7-dimethyl-octanoate Openeye Name: methyl 7-(9,10-dioxo-2-anthryl)-3,7-dimethyl-octanoate CAS Name: 7-(9,10-dioxo-2-anthracenyl)-3,7-dimethyloctanoic acid methyl ester IUPAC Name: methyl 7-(9,10-dioxoanthracen-2-yl)-3,7-dimethyloctanoate Traditional Name: 7-(9,10-diketo-2-anthryl)-3,7-dimethyl-caprylic acid methyl ester Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O4/c1-16(14-22(26)29-4)8-7-13-25(2,3)17-11-12-20-21(15-17)24(28)19-10-6-5-9-18(19)23(20)27/h5-6,9-12,15-16H,7-8,13-14H2,1-4H3