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

Systemtic Name: 1,2-bis[(2-azanyl-4-henicosyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,2-bis[(2-amino-4-henicosyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,2-bis[(2-amino-4-heneicosylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,2-bis[(2-amino-4-henicosylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,2-bis[(2-amino-4-heneicosyl-phenyl)thio]-9,10-anthraquinone Formula: C68H102N2O2S2 MolecularWeight: 1043.67968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C68H102N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-55-47-50-62(60(69)53-55)73-64-52-49-59-65(67(72)58-46-42-41-45-57(58)66(59)71)68(64)74-63-51-48-56(54-61(63)70)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42,45-54H,3-40,43-44,69-70H2,1-2H3