1,5-bis[(4-tert-butylphenyl)sulfanyl]-4-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 1,5-bis[(4-tert-butylphenyl)sulfanyl]-4-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1,5-bis[(4-tert-butylphenyl)sulfanyl]-4-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1,5-bis[(4-tert-butylphenyl)thio]-4-(phenylthio)anthracene-9,10-dione IUPAC Name: 1,5-bis[(4-tert-butylphenyl)sulfanyl]-4-phenylsulfanylanthracene-9,10-dione Traditional Name: 1,5-bis[(4-tert-butylphenyl)thio]-4-(phenylthio)-9,10-anthraquinone Formula: C40H36O2S3 MolecularWeight: 644.90764

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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=CC=C4)C(=O)C5=C(C3=O)C=CC=C5SC6=CC=C(C=C6)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=C(C3=O)C=CC=C5SC6=CC=C(C=C6)C(C)(C)C

InChI

InChI=1S/C40H36O2S3/c1-39(2,3)25-15-19-28(20-16-25)44-31-14-10-13-30-34(31)38(42)36-33(43-27-11-8-7-9-12-27)24-23-32(35(36)37(30)41)45-29-21-17-26(18-22-29)40(4,5)6/h7-24H,1-6H3