1,5-bis[(4-heptoxyphenyl)amino]anthracene-9,10-dione

Systemtic Name: 1,5-bis[(4-heptoxyphenyl)amino]anthracene-9,10-dione Openeye Name: 1,5-bis(4-heptoxyanilino)anthracene-9,10-dione CAS Name: 1,5-bis(4-heptoxyanilino)anthracene-9,10-dione IUPAC Name: 1,5-bis(4-heptoxyanilino)anthracene-9,10-dione Traditional Name: 1,5-bis(4-heptoxyanilino)-9,10-anthraquinone Formula: C40H46N2O4 MolecularWeight: 618.80424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)OCCCCCCC

InChI

InChI=1S/C40H46N2O4/c1-3-5-7-9-11-27-45-31-23-19-29(20-24-31)41-35-17-13-15-33-37(35)39(43)34-16-14-18-36(38(34)40(33)44)42-30-21-25-32(26-22-30)46-28-12-10-8-6-4-2/h13-26,41-42H,3-12,27-28H2,1-2H3