4-(4-tert-butylphenyl)sulfanyl-1,5-bis(oxidanyl)-8-phenylsulfanyl-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione

Systemtic Name: 4-(4-tert-butylphenyl)sulfanyl-1,5-bis(oxidanyl)-8-phenylsulfanyl-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione Openeye Name: 4-(4-tert-butylphenyl)sulfanyl-1,5-dihydroxy-8-phenylsulfanyl-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione CAS Name: 4-[(4-tert-butylphenyl)thio]-1,5-dihydroxy-8-(phenylthio)-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione IUPAC Name: 4-(4-tert-butylphenyl)sulfanyl-1,5-dihydroxy-8-phenylsulfanyl-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione Traditional Name: 4-[(4-tert-butylphenyl)thio]-1,5-dihydroxy-8-(phenylthio)-2,6-bis(3,5,5-trimethylhexyl)-9,10-anthraquinone Formula: C48H60O4S2 MolecularWeight: 765.1176

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCC(C)CC(C)(C)C)SC4=CC=C(C=C4)C(C)(C)C)SC5=CC=CC=C5)CC(C)(C)C

Isomeric SMILES

CC(CCC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCC(C)CC(C)(C)C)SC4=CC=C(C=C4)C(C)(C)C)SC5=CC=CC=C5)CC(C)(C)C

InChI

InChI=1S/C48H60O4S2/c1-29(27-46(3,4)5)17-19-31-25-36(53-34-15-13-12-14-16-34)38-40(42(31)49)45(52)39-37(54-35-23-21-33(22-24-35)48(9,10)11)26-32(43(50)41(39)44(38)51)20-18-30(2)28-47(6,7)8/h12-16,21-26,29-30,49-50H,17-20,27-28H2,1-11H3