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

Systemtic Name: 1,4-bis[(2-bromanyl-4-butyl-6-methyl-phenyl)amino]anthracene-9,10-dione Openeye Name: 1,4-bis(2-bromo-4-butyl-6-methyl-anilino)anthracene-9,10-dione CAS Name: 1,4-bis(2-bromo-4-butyl-6-methylanilino)anthracene-9,10-dione IUPAC Name: 1,4-bis(2-bromo-4-butyl-6-methylanilino)anthracene-9,10-dione Traditional Name: 1,4-bis(2-bromo-4-butyl-6-methyl-anilino)-9,10-anthraquinone Formula: C36H36Br2N2O2 MolecularWeight: 688.49124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C(=C1)Br)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4Br)CCCC)C)C(=O)C5=CC=CC=C5C3=O)C

Isomeric SMILES

CCCCC1=CC(=C(C(=C1)Br)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4Br)CCCC)C)C(=O)C5=CC=CC=C5C3=O)C

InChI

InChI=1S/C36H36Br2N2O2/c1-5-7-11-23-17-21(3)33(27(37)19-23)39-29-15-16-30(40-34-22(4)18-24(12-8-6-2)20-28(34)38)32-31(29)35(41)25-13-9-10-14-26(25)36(32)42/h9-10,13-20,39-40H,5-8,11-12H2,1-4H3