1,8-bis[(2,6-dimethyl-4-phenoxy-phenyl)amino]anthracene-9,10-dione

Systemtic Name: 1,8-bis[(2,6-dimethyl-4-phenoxy-phenyl)amino]anthracene-9,10-dione Openeye Name: 1,8-bis(2,6-dimethyl-4-phenoxy-anilino)anthracene-9,10-dione CAS Name: 1,8-bis(2,6-dimethyl-4-phenoxyanilino)anthracene-9,10-dione IUPAC Name: 1,8-bis(2,6-dimethyl-4-phenoxyanilino)anthracene-9,10-dione Traditional Name: 1,8-bis(2,6-dimethyl-4-phenoxy-anilino)-9,10-anthraquinone Formula: C42H34N2O4 MolecularWeight: 630.73036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NC5=C(C=C(C=C5C)OC6=CC=CC=C6)C)C)OC7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC(=C1NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NC5=C(C=C(C=C5C)OC6=CC=CC=C6)C)C)OC7=CC=CC=C7

InChI

InChI=1S/C42H34N2O4/c1-25-21-31(47-29-13-7-5-8-14-29)22-26(2)39(25)43-35-19-11-17-33-37(35)42(46)38-34(41(33)45)18-12-20-36(38)44-40-27(3)23-32(24-28(40)4)48-30-15-9-6-10-16-30/h5-24,43-44H,1-4H3