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

Systemtic Name: methyl 5-[9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoate Openeye Name: methyl 5-(9,10-dioxo-2-anthryl)-5-methyl-hexanoate CAS Name: 5-(9,10-dioxo-2-anthracenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(9,10-dioxoanthracen-2-yl)-5-methylhexanoate Traditional Name: 5-(9,10-diketo-2-anthryl)-5-methyl-hexanoic acid methyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O4/c1-22(2,12-6-9-19(23)26-3)14-10-11-17-18(13-14)21(25)16-8-5-4-7-15(16)20(17)24/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3