1,4,5-tris[(4-phenylphenyl)sulfanyl]-8-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 1,4,5-tris[(4-phenylphenyl)sulfanyl]-8-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1,4,5-tris[(4-phenylphenyl)sulfanyl]-8-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1,4,5-tris[(4-phenylphenyl)thio]-8-(phenylthio)anthracene-9,10-dione IUPAC Name: 1,4,5-tris[(4-phenylphenyl)sulfanyl]-8-phenylsulfanylanthracene-9,10-dione Traditional Name: 1,4,5-tris[(4-phenylphenyl)thio]-8-(phenylthio)-9,10-anthraquinone Formula: C56H36O2S4 MolecularWeight: 869.14384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)SC3=C4C(=C(C=C3)SC5=CC=CC=C5)C(=O)C6=C(C=CC(=C6C4=O)SC7=CC=C(C=C7)C8=CC=CC=C8)SC9=CC=C(C=C9)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)SC3=C4C(=C(C=C3)SC5=CC=CC=C5)C(=O)C6=C(C=CC(=C6C4=O)SC7=CC=C(C=C7)C8=CC=CC=C8)SC9=CC=C(C=C9)C1=CC=CC=C1

InChI

InChI=1S/C56H36O2S4/c57-55-51-47(59-43-19-11-4-12-20-43)33-34-48(60-44-27-21-40(22-28-44)37-13-5-1-6-14-37)52(51)56(58)54-50(62-46-31-25-42(26-32-46)39-17-9-3-10-18-39)36-35-49(53(54)55)61-45-29-23-41(24-30-45)38-15-7-2-8-16-38/h1-36H