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

Systemtic Name: 1,8-bis[(2-azanyl-4-pentadecoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-pentadecoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-pentadecoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-pentadecoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-pentadecoxy-phenyl)thio]-9,10-anthraquinone Formula: C56H78N2O4S2 MolecularWeight: 907.35952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C56H78N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-39-61-43-35-37-49(47(57)41-43)63-51-33-29-31-45-53(51)56(60)54-46(55(45)59)32-30-34-52(54)64-50-38-36-44(42-48(50)58)62-40-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-38,41-42H,3-28,39-40,57-58H2,1-2H3