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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C3C(=CC=C(C3=O)NCC4=CC=CC=C4)C(=O)C5=CC=CC=C52

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C3C(=CC=C(C3=O)NCC4=CC=CC=C4)C(=O)C5=CC=CC=C52

InChI

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