hexyl 5-[7-tert-butyl-9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoate

Systemtic Name: hexyl 5-[7-tert-butyl-9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoate Openeye Name: hexyl 5-(7-tert-butyl-9,10-dioxo-2-anthryl)-5-methyl-hexanoate CAS Name: 5-(7-tert-butyl-9,10-dioxo-2-anthracenyl)-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-(7-tert-butyl-9,10-dioxoanthracen-2-yl)-5-methylhexanoate Traditional Name: 5-(7-tert-butyl-9,10-diketo-2-anthryl)-5-methyl-hexanoic acid hexyl ester Formula: C31H40O4 MolecularWeight: 476.6469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCOC(=O)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C

InChI

InChI=1S/C31H40O4/c1-7-8-9-10-18-35-27(32)12-11-17-31(5,6)22-14-16-24-26(20-22)29(34)25-19-21(30(2,3)4)13-15-23(25)28(24)33/h13-16,19-20H,7-12,17-18H2,1-6H3