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

Systemtic Name: 1,8-bis[(2-azanyl-4-hexadecyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-hexadecyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-hexadecylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-hexadecylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-cetyl-phenyl)thio]-9,10-anthraquinone Formula: C58H82N2O2S2 MolecularWeight: 903.41388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C58H82N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-45-39-41-51(49(59)43-45)63-53-37-31-35-47-55(53)58(62)56-48(57(47)61)36-32-38-54(56)64-52-42-40-46(44-50(52)60)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-44H,3-30,33-34,59-60H2,1-2H3