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

Systemtic Name: 1-(2-tert-butylphenyl)sulfanyl-2,6-di(nonyl)-1,5-bis(oxidanyl)-8-phenylsulfanyl-2H-anthracene-9,10-dione Openeye Name: 1-(2-tert-butylphenyl)sulfanyl-1,5-dihydroxy-2,6-di(nonyl)-8-phenylsulfanyl-2H-anthracene-9,10-dione CAS Name: 1-[(2-tert-butylphenyl)thio]-1,5-dihydroxy-2,6-di(nonyl)-8-(phenylthio)-2H-anthracene-9,10-dione IUPAC Name: 1-(2-tert-butylphenyl)sulfanyl-1,5-dihydroxy-2,6-di(nonyl)-8-phenylsulfanyl-2H-anthracene-9,10-dione Traditional Name: 1-[(2-tert-butylphenyl)thio]-1,5-dihydroxy-2,6-di(nonyl)-8-(phenylthio)-2H-anthracene-9,10-quinone Formula: C48H62O4S2 MolecularWeight: 767.13348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C=CC2=C(C1(O)SC3=CC=CC=C3C(C)(C)C)C(=O)C4=C(C=C(C(=C4C2=O)O)CCCCCCCCC)SC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCC1C=CC2=C(C1(O)SC3=CC=CC=C3C(C)(C)C)C(=O)C4=C(C=C(C(=C4C2=O)O)CCCCCCCCC)SC5=CC=CC=C5

InChI

InChI=1S/C48H62O4S2/c1-6-8-10-12-14-16-19-25-34-33-40(53-36-27-21-18-22-28-36)41-42(44(34)49)45(50)37-32-31-35(26-20-17-15-13-11-9-7-2)48(52,43(37)46(41)51)54-39-30-24-23-29-38(39)47(3,4)5/h18,21-24,27-33,35,49,52H,6-17,19-20,25-26H2,1-5H3