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

Systemtic Name: methyl 5-[9,10-bis(oxidanylidene)-7-(2-phenylpropan-2-yl)anthracen-2-yl]-5-methyl-hexanoate Openeye Name: methyl 5-methyl-5-[7-(1-methyl-1-phenyl-ethyl)-9,10-dioxo-2-anthryl]hexanoate CAS Name: 5-[9,10-dioxo-7-(2-phenylpropan-2-yl)-2-anthracenyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-[9,10-dioxo-7-(2-phenylpropan-2-yl)anthracen-2-yl]-5-methylhexanoate Traditional Name: 5-(7-cumyl-9,10-diketo-2-anthryl)-5-methyl-hexanoic acid methyl ester Formula: C31H32O4 MolecularWeight: 468.58338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)OC)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(CCCC(=O)OC)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C31H32O4/c1-30(2,17-9-12-27(32)35-5)21-13-15-23-25(18-21)29(34)26-19-22(14-16-24(26)28(23)33)31(3,4)20-10-7-6-8-11-20/h6-8,10-11,13-16,18-19H,9,12,17H2,1-5H3