1,5-bis(azanyl)-2,6-bis[C-(4-butylphenyl)carbonimidoyl]anthracene-9,10-dione

Systemtic Name: 1,5-bis(azanyl)-2,6-bis[C-(4-butylphenyl)carbonimidoyl]anthracene-9,10-dione Openeye Name: 1,5-diamino-2,6-bis(4-butylbenzenecarboximidoyl)anthracene-9,10-dione CAS Name: 1,5-diamino-2,6-bis[(4-butylphenyl)-iminomethyl]anthracene-9,10-dione IUPAC Name: 1,5-diamino-2,6-bis(4-butylbenzenecarboximidoyl)anthracene-9,10-dione Traditional Name: 1,5-diamino-2,6-bis(4-butylbenzimidoyl)-9,10-anthraquinone Formula: C36H36N4O2 MolecularWeight: 556.69664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=N)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4N)C(=N)C5=CC=C(C=C5)CCCC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=N)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4N)C(=N)C5=CC=C(C=C5)CCCC)N

InChI

InChI=1S/C36H36N4O2/c1-3-5-7-21-9-13-23(14-10-21)31(37)27-19-17-25-29(33(27)39)35(41)26-18-20-28(34(40)30(26)36(25)42)32(38)24-15-11-22(12-16-24)8-6-4-2/h9-20,37-38H,3-8,39-40H2,1-2H3