N-[4-(4-butylphenoxy)-9,10-bis(oxidanylidene)anthracen-1-yl]-4-(4-octylphenyl)benzamide

Systemtic Name: N-[4-(4-butylphenoxy)-9,10-bis(oxidanylidene)anthracen-1-yl]-4-(4-octylphenyl)benzamide Openeye Name: N-[4-(4-butylphenoxy)-9,10-dioxo-1-anthryl]-4-(4-octylphenyl)benzamide CAS Name: N-[4-(4-butylphenoxy)-9,10-dioxo-1-anthracenyl]-4-(4-octylphenyl)benzamide IUPAC Name: N-[4-(4-butylphenoxy)-9,10-dioxoanthracen-1-yl]-4-(4-octylphenyl)benzamide Traditional Name: N-[4-(4-butylphenoxy)-9,10-diketo-1-anthryl]-4-(4-octylphenyl)benzamide Formula: C45H45NO4 MolecularWeight: 663.8431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)OC5=CC=C(C=C5)CCCC)C(=O)C6=CC=CC=C6C4=O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)OC5=CC=C(C=C5)CCCC)C(=O)C6=CC=CC=C6C4=O

InChI

InChI=1S/C45H45NO4/c1-3-5-7-8-9-10-14-32-17-21-33(22-18-32)34-23-25-35(26-24-34)45(49)46-39-29-30-40(50-36-27-19-31(20-28-36)13-6-4-2)42-41(39)43(47)37-15-11-12-16-38(37)44(42)48/h11-12,15-30H,3-10,13-14H2,1-2H3,(H,46,49)