5-[6-tert-butyl-9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoic acid

Systemtic Name: 5-[6-tert-butyl-9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoic acid Openeye Name: 5-(6-tert-butyl-9,10-dioxo-2-anthryl)-5-methyl-hexanoic acid CAS Name: 5-(6-tert-butyl-9,10-dioxo-2-anthracenyl)-5-methylhexanoic acid IUPAC Name: 5-(6-tert-butyl-9,10-dioxoanthracen-2-yl)-5-methylhexanoic acid Traditional Name: 5-(6-tert-butyl-9,10-diketo-2-anthryl)-5-methyl-hexanoic acid Formula: C25H28O4 MolecularWeight: 392.48742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O4/c1-24(2,3)15-8-10-17-19(13-15)22(28)18-11-9-16(14-20(18)23(17)29)25(4,5)12-6-7-21(26)27/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,27)