1-azanyl-2-bromanyl-4-[(4-octadecylphenyl)amino]anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-bromanyl-4-[(4-octadecylphenyl)amino]anthracene-9,10-dione Openeye Name: 1-amino-2-bromo-4-(4-octadecylanilino)anthracene-9,10-dione CAS Name: 1-amino-2-bromo-4-(4-octadecylanilino)anthracene-9,10-dione IUPAC Name: 1-amino-2-bromo-4-(4-octadecylanilino)anthracene-9,10-dione Traditional Name: 1-amino-2-bromo-4-(4-stearylanilino)-9,10-anthraquinone Formula: C38H49BrN2O2 MolecularWeight: 645.71186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br

InChI

InChI=1S/C38H49BrN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-23-25-29(26-24-28)41-33-27-32(39)36(40)35-34(33)37(42)30-21-18-19-22-31(30)38(35)43/h18-19,21-27,41H,2-17,20,40H2,1H3