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

Systemtic Name: 1,8-bis[(2-azanyl-4-icosyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-icosyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-eicosylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-icosylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-arachyl-phenyl)thio]-9,10-anthraquinone Formula: C66H98N2O2S2 MolecularWeight: 1015.62652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C66H98N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-53-47-49-59(57(67)51-53)71-61-45-39-43-55-63(61)66(70)64-56(65(55)69)44-40-46-62(64)72-60-50-48-54(52-58(60)68)42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,43-52H,3-38,41-42,67-68H2,1-2H3