methyl 5-methyl-5-[7-(1-methylcyclohexyl)-9,10-bis(oxidanylidene)anthracen-2-yl]hexanoate

Systemtic Name: methyl 5-methyl-5-[7-(1-methylcyclohexyl)-9,10-bis(oxidanylidene)anthracen-2-yl]hexanoate Openeye Name: methyl 5-methyl-5-[7-(1-methylcyclohexyl)-9,10-dioxo-2-anthryl]hexanoate CAS Name: 5-methyl-5-[7-(1-methylcyclohexyl)-9,10-dioxo-2-anthracenyl]hexanoic acid methyl ester IUPAC Name: methyl 5-methyl-5-[7-(1-methylcyclohexyl)-9,10-dioxoanthracen-2-yl]hexanoate Traditional Name: 5-[9,10-diketo-7-(1-methylcyclohexyl)-2-anthryl]-5-methyl-hexanoic acid methyl ester Formula: C29H34O4 MolecularWeight: 446.57786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=C(C=C4)C(C)(C)CCCC(=O)OC

Isomeric SMILES

CC1(CCCCC1)C2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=C(C=C4)C(C)(C)CCCC(=O)OC

InChI

InChI=1S/C29H34O4/c1-28(2,14-8-9-25(30)33-4)19-10-12-21-23(17-19)27(32)24-18-20(11-13-22(24)26(21)31)29(3)15-6-5-7-16-29/h10-13,17-18H,5-9,14-16H2,1-4H3