1,8-bis[(2-azanyl-4-pentadecyl-phenyl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,8-bis[(2-azanyl-4-pentadecyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-pentadecyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-pentadecylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-pentadecylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-pentadecyl-phenyl)thio]-9,10-anthraquinone Formula: C56H78N2O2S2 MolecularWeight: 875.36072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C56H78N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-43-37-39-49(47(57)41-43)61-51-35-29-33-45-53(51)56(60)54-46(55(45)59)34-30-36-52(54)62-50-40-38-44(42-48(50)58)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-42H,3-28,31-32,57-58H2,1-2H3