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

Systemtic Name: 1,8-bis[(2-azanyl-4-tetradecyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-tetradecyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-tetradecylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-tetradecylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-myristyl-phenyl)thio]-9,10-anthraquinone Formula: C54H74N2O2S2 MolecularWeight: 847.30756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C54H74N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-41-35-37-47(45(55)39-41)59-49-33-27-31-43-51(49)54(58)52-44(53(43)57)32-28-34-50(52)60-48-38-36-42(40-46(48)56)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28,31-40H,3-26,29-30,55-56H2,1-2H3