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

Systemtic Name: hexyl 5-[9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoate Openeye Name: hexyl 5-(9,10-dioxo-2-anthryl)-5-methyl-hexanoate CAS Name: 5-(9,10-dioxo-2-anthracenyl)-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-(9,10-dioxoanthracen-2-yl)-5-methylhexanoate Traditional Name: 5-(9,10-diketo-2-anthryl)-5-methyl-hexanoic acid hexyl ester Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O4/c1-4-5-6-9-17-31-24(28)13-10-16-27(2,3)19-14-15-22-23(18-19)26(30)21-12-8-7-11-20(21)25(22)29/h7-8,11-12,14-15,18H,4-6,9-10,13,16-17H2,1-3H3