methyl 7-[6-tert-butyl-9,10-bis(oxidanylidene)anthracen-2-yl]-3,7-dimethyl-octanoate

Systemtic Name: methyl 7-[6-tert-butyl-9,10-bis(oxidanylidene)anthracen-2-yl]-3,7-dimethyl-octanoate Openeye Name: methyl 7-(6-tert-butyl-9,10-dioxo-2-anthryl)-3,7-dimethyl-octanoate CAS Name: 7-(6-tert-butyl-9,10-dioxo-2-anthracenyl)-3,7-dimethyloctanoic acid methyl ester IUPAC Name: methyl 7-(6-tert-butyl-9,10-dioxoanthracen-2-yl)-3,7-dimethyloctanoate Traditional Name: 7-(6-tert-butyl-9,10-diketo-2-anthryl)-3,7-dimethyl-caprylic acid methyl ester Formula: C29H36O4 MolecularWeight: 448.59374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C(C)(C)C)CC(=O)OC

Isomeric SMILES

CC(CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C(C)(C)C)CC(=O)OC

InChI

InChI=1S/C29H36O4/c1-18(15-25(30)33-7)9-8-14-29(5,6)20-11-13-22-24(17-20)27(32)21-12-10-19(28(2,3)4)16-23(21)26(22)31/h10-13,16-18H,8-9,14-15H2,1-7H3