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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCCCCCC)SC4=CC=CC=C4C(C)(C)C)SC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCCCCCC)SC4=CC=CC=C4C(C)(C)C)SC5=CC=CC=C5

InChI

InChI=1S/C48H60O4S2/c1-6-8-10-12-14-16-19-25-33-31-38(53-35-27-21-18-22-28-35)40-42(44(33)49)47(52)41-39(54-37-30-24-23-29-36(37)48(3,4)5)32-34(45(50)43(41)46(40)51)26-20-17-15-13-11-9-7-2/h18,21-24,27-32,49-50H,6-17,19-20,25-26H2,1-5H3