1,4-bis[[3-(2-ethylhexyl)-2-methyl-phenyl]amino]anthracene-9,10-dione

Systemtic Name: 1,4-bis[[3-(2-ethylhexyl)-2-methyl-phenyl]amino]anthracene-9,10-dione Openeye Name: 1,4-bis[3-(2-ethylhexyl)-2-methyl-anilino]anthracene-9,10-dione CAS Name: 1,4-bis[3-(2-ethylhexyl)-2-methylanilino]anthracene-9,10-dione IUPAC Name: 1,4-bis[3-(2-ethylhexyl)-2-methylanilino]anthracene-9,10-dione Traditional Name: 1,4-bis[3-(2-ethylhexyl)-2-methyl-anilino]-9,10-anthraquinone Formula: C44H54N2O2 MolecularWeight: 642.91176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=CC=C1)NC2=C3C(=C(C=C2)NC4=CC=CC(=C4C)CC(CC)CCCC)C(=O)C5=CC=CC=C5C3=O)C

Isomeric SMILES

CCCCC(CC)CC1=C(C(=CC=C1)NC2=C3C(=C(C=C2)NC4=CC=CC(=C4C)CC(CC)CCCC)C(=O)C5=CC=CC=C5C3=O)C

InChI

InChI=1S/C44H54N2O2/c1-7-11-17-31(9-3)27-33-19-15-23-37(29(33)5)45-39-25-26-40(42-41(39)43(47)35-21-13-14-22-36(35)44(42)48)46-38-24-16-20-34(30(38)6)28-32(10-4)18-12-8-2/h13-16,19-26,31-32,45-46H,7-12,17-18,27-28H2,1-6H3