1,4-bis[(6-bromanyl-4-butyl-6-methyl-cyclohexa-2,4-dien-1-yl)amino]anthracene-9,10-dione

Systemtic Name: 1,4-bis[(6-bromanyl-4-butyl-6-methyl-cyclohexa-2,4-dien-1-yl)amino]anthracene-9,10-dione Openeye Name: 1,4-bis[(6-bromo-4-butyl-6-methyl-cyclohexa-2,4-dien-1-yl)amino]anthracene-9,10-dione CAS Name: 1,4-bis[(6-bromo-4-butyl-6-methyl-1-cyclohexa-2,4-dienyl)amino]anthracene-9,10-dione IUPAC Name: 1,4-bis[(6-bromo-4-butyl-6-methylcyclohexa-2,4-dien-1-yl)amino]anthracene-9,10-dione Traditional Name: 1,4-bis[(6-bromo-4-butyl-6-methyl-cyclohexa-2,4-dien-1-yl)amino]-9,10-anthraquinone Formula: C36H40Br2N2O2 MolecularWeight: 692.523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(C(C=C1)NC2=C3C(=C(C=C2)NC4C=CC(=CC4(C)Br)CCCC)C(=O)C5=CC=CC=C5C3=O)(C)Br

Isomeric SMILES

CCCCC1=CC(C(C=C1)NC2=C3C(=C(C=C2)NC4C=CC(=CC4(C)Br)CCCC)C(=O)C5=CC=CC=C5C3=O)(C)Br

InChI

InChI=1S/C36H40Br2N2O2/c1-5-7-11-23-15-19-29(35(3,37)21-23)39-27-17-18-28(40-30-20-16-24(12-8-6-2)22-36(30,4)38)32-31(27)33(41)25-13-9-10-14-26(25)34(32)42/h9-10,13-22,29-30,39-40H,5-8,11-12H2,1-4H3