1,4-bis[(7-ethyl-5-methyl-undecan-5-yl)amino]anthracene-9,10-dione

Systemtic Name: 1,4-bis[(7-ethyl-5-methyl-undecan-5-yl)amino]anthracene-9,10-dione Openeye Name: 1,4-bis[(1-butyl-3-ethyl-1-methyl-heptyl)amino]anthracene-9,10-dione CAS Name: 1,4-bis[(7-ethyl-5-methylundecan-5-yl)amino]anthracene-9,10-dione IUPAC Name: 1,4-bis[(7-ethyl-5-methylundecan-5-yl)amino]anthracene-9,10-dione Traditional Name: 1,4-bis[(1-butyl-3-ethyl-1-methyl-heptyl)amino]-9,10-anthraquinone Formula: C42H66N2O2 MolecularWeight: 630.98564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C)(CCCC)NC1=C2C(=C(C=C1)NC(C)(CCCC)CC(CC)CCCC)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC(CC)CC(C)(CCCC)NC1=C2C(=C(C=C1)NC(C)(CCCC)CC(CC)CCCC)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C42H66N2O2/c1-9-15-21-31(13-5)29-41(7,27-17-11-3)43-35-25-26-36(38-37(35)39(45)33-23-19-20-24-34(33)40(38)46)44-42(8,28-18-12-4)30-32(14-6)22-16-10-2/h19-20,23-26,31-32,43-44H,9-18,21-22,27-30H2,1-8H3