1,4-bis[(4-tert-butylphenyl)sulfanyl]-5,8-bis(naphthalen-2-ylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1,4-bis[(4-tert-butylphenyl)sulfanyl]-5,8-bis(naphthalen-2-ylsulfanyl)anthracene-9,10-dione Openeye Name: 1,4-bis[(4-tert-butylphenyl)sulfanyl]-5,8-bis(2-naphthylsulfanyl)anthracene-9,10-dione CAS Name: 1,4-bis[(4-tert-butylphenyl)thio]-5,8-bis(2-naphthalenylthio)anthracene-9,10-dione IUPAC Name: 1,4-bis[(4-tert-butylphenyl)sulfanyl]-5,8-bis(naphthalen-2-ylsulfanyl)anthracene-9,10-dione Traditional Name: 1,4-bis[(4-tert-butylphenyl)thio]-5,8-bis(2-naphthylthio)-9,10-anthraquinone Formula: C54H44O2S4 MolecularWeight: 853.18596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)C(C)(C)C)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC7=CC=CC=C7C=C6)SC8=CC9=CC=CC=C9C=C8

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)C(C)(C)C)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC7=CC=CC=C7C=C6)SC8=CC9=CC=CC=C9C=C8

InChI

InChI=1S/C54H44O2S4/c1-53(2,3)37-17-23-39(24-18-37)57-43-27-28-44(58-40-25-19-38(20-26-40)54(4,5)6)48-47(43)51(55)49-45(59-41-21-15-33-11-7-9-13-35(33)31-41)29-30-46(50(49)52(48)56)60-42-22-16-34-12-8-10-14-36(34)32-42/h7-32H,1-6H3