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

Systemtic Name: octadecyl 5-[9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoate Openeye Name: octadecyl 5-(9,10-dioxo-2-anthryl)-5-methyl-hexanoate CAS Name: 5-(9,10-dioxo-2-anthracenyl)-5-methylhexanoic acid octadecyl ester IUPAC Name: octadecyl 5-(9,10-dioxoanthracen-2-yl)-5-methylhexanoate Traditional Name: 5-(9,10-diketo-2-anthryl)-5-methyl-hexanoic acid stearyl ester Formula: C39H56O4 MolecularWeight: 588.85954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-43-36(40)25-22-28-39(2,3)31-26-27-34-35(30-31)38(42)33-24-20-19-23-32(33)37(34)41/h19-20,23-24,26-27,30H,4-18,21-22,25,28-29H2,1-3H3