5-oxidanyl-1,4-bis[[4-(phenylmethyl)phenyl]amino]anthracene-9,10-dione

Systemtic Name: 5-oxidanyl-1,4-bis[[4-(phenylmethyl)phenyl]amino]anthracene-9,10-dione Openeye Name: 1,4-bis(4-benzylanilino)-5-hydroxy-anthracene-9,10-dione CAS Name: 5-hydroxy-1,4-bis[4-(phenylmethyl)anilino]anthracene-9,10-dione IUPAC Name: 1,4-bis(4-benzylanilino)-5-hydroxyanthracene-9,10-dione Traditional Name: 1,4-bis(4-benzylanilino)-5-hydroxy-9,10-anthraquinone Formula: C40H30N2O3 MolecularWeight: 586.6778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=C4C(=C(C=C3)NC5=CC=C(C=C5)CC6=CC=CC=C6)C(=O)C7=C(C4=O)C=CC=C7O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=C4C(=C(C=C3)NC5=CC=C(C=C5)CC6=CC=CC=C6)C(=O)C7=C(C4=O)C=CC=C7O

InChI

InChI=1S/C40H30N2O3/c43-35-13-7-12-32-36(35)40(45)38-34(42-31-20-16-29(17-21-31)25-27-10-5-2-6-11-27)23-22-33(37(38)39(32)44)41-30-18-14-28(15-19-30)24-26-8-3-1-4-9-26/h1-23,41-43H,24-25H2