4-(4-tert-butylphenyl)sulfanyl-2,7-didodecyl-1,8-bis(oxidanyl)-5-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 4-(4-tert-butylphenyl)sulfanyl-2,7-didodecyl-1,8-bis(oxidanyl)-5-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 4-(4-tert-butylphenyl)sulfanyl-2,7-didodecyl-1,8-dihydroxy-5-phenylsulfanyl-anthracene-9,10-dione CAS Name: 4-[(4-tert-butylphenyl)thio]-2,7-didodecyl-1,8-dihydroxy-5-(phenylthio)anthracene-9,10-dione IUPAC Name: 4-(4-tert-butylphenyl)sulfanyl-2,7-didodecyl-1,8-dihydroxy-5-phenylsulfanylanthracene-9,10-dione Traditional Name: 4-[(4-tert-butylphenyl)thio]-1,8-dihydroxy-2,7-dilauryl-5-(phenylthio)-9,10-anthraquinone Formula: C54H72O4S2 MolecularWeight: 849.27708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=C(C=C4)C(C)(C)C)CCCCCCCCCCCC)O)SC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=C(C=C4)C(C)(C)C)CCCCCCCCCCCC)O)SC5=CC=CC=C5

InChI

InChI=1S/C54H72O4S2/c1-6-8-10-12-14-16-18-20-22-25-29-39-37-44(59-42-31-27-24-28-32-42)46-48(50(39)55)53(58)49-47(52(46)57)45(60-43-35-33-41(34-36-43)54(3,4)5)38-40(51(49)56)30-26-23-21-19-17-15-13-11-9-7-2/h24,27-28,31-38,55-56H,6-23,25-26,29-30H2,1-5H3