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

Systemtic Name: 1,8-bis[(2-azanyl-4-nonadecyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-nonadecyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-nonadecylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-nonadecylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-nonadecyl-phenyl)thio]-9,10-anthraquinone Formula: C64H94N2O2S2 MolecularWeight: 987.57336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C64H94N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-51-45-47-57(55(65)49-51)69-59-43-37-41-53-61(59)64(68)62-54(63(53)67)42-38-44-60(62)70-58-48-46-52(50-56(58)66)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-50H,3-36,39-40,65-66H2,1-2H3