octadecyl 3-[9,10-bis(oxidanylidene)anthracen-2-yl]-3-methyl-butanoate

Systemtic Name: octadecyl 3-[9,10-bis(oxidanylidene)anthracen-2-yl]-3-methyl-butanoate Openeye Name: octadecyl 3-(9,10-dioxo-2-anthryl)-3-methyl-butanoate CAS Name: 3-(9,10-dioxo-2-anthracenyl)-3-methylbutanoic acid octadecyl ester IUPAC Name: octadecyl 3-(9,10-dioxoanthracen-2-yl)-3-methylbutanoate Traditional Name: 3-(9,10-diketo-2-anthryl)-3-methyl-butyric acid stearyl ester Formula: C37H52O4 MolecularWeight: 560.80638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C37H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-41-34(38)28-37(2,3)29-24-25-32-33(27-29)36(40)31-23-20-19-22-30(31)35(32)39/h19-20,22-25,27H,4-18,21,26,28H2,1-3H3