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

Systemtic Name: 1,8-bis[(2-azanyl-4-docosyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-docosyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-docosylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-docosylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-behenyl-phenyl)thio]-9,10-anthraquinone Formula: C70H106N2O2S2 MolecularWeight: 1071.73284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C70H106N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-57-51-53-63(61(71)55-57)75-65-49-43-47-59-67(65)70(74)68-60(69(59)73)48-44-50-66(68)76-64-54-52-58(56-62(64)72)46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-44,47-56H,3-42,45-46,71-72H2,1-2H3