1-(4-tert-butylphenoxy)-2-[(phenylmethyl)amino]anthracene-9,10-dione

Systemtic Name: 1-(4-tert-butylphenoxy)-2-[(phenylmethyl)amino]anthracene-9,10-dione Openeye Name: 2-(benzylamino)-1-(4-tert-butylphenoxy)anthracene-9,10-dione CAS Name: 1-(4-tert-butylphenoxy)-2-[(phenylmethyl)amino]anthracene-9,10-dione IUPAC Name: 2-(benzylamino)-1-(4-tert-butylphenoxy)anthracene-9,10-dione Traditional Name: 2-(benzylamino)-1-(4-tert-butylphenoxy)-9,10-anthraquinone Formula: C31H27NO3 MolecularWeight: 461.55098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H27NO3/c1-31(2,3)21-13-15-22(16-14-21)35-30-26(32-19-20-9-5-4-6-10-20)18-17-25-27(30)29(34)24-12-8-7-11-23(24)28(25)33/h4-18,32H,19H2,1-3H3