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

Systemtic Name: 2-ethylhexyl 5-[7-tert-butyl-9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanoate Openeye Name: 2-ethylhexyl 5-(7-tert-butyl-9,10-dioxo-2-anthryl)-5-methyl-hexanoate CAS Name: 5-(7-tert-butyl-9,10-dioxo-2-anthracenyl)-5-methylhexanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 5-(7-tert-butyl-9,10-dioxoanthracen-2-yl)-5-methylhexanoate Traditional Name: 5-(7-tert-butyl-9,10-diketo-2-anthryl)-5-methyl-hexanoic acid 2-ethylhexyl ester Formula: C33H44O4 MolecularWeight: 504.70006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44O4/c1-8-10-12-22(9-2)21-37-29(34)13-11-18-33(6,7)24-15-17-26-28(20-24)31(36)27-19-23(32(3,4)5)14-16-25(27)30(26)35/h14-17,19-20,22H,8-13,18,21H2,1-7H3