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

Systemtic Name: 1,8-bis[(4-tert-butylphenyl)sulfanyl]-4,5-bis(phenylsulfanyl)anthracene-9,10-dione Openeye Name: 1,8-bis[(4-tert-butylphenyl)sulfanyl]-4,5-bis(phenylsulfanyl)anthracene-9,10-dione CAS Name: 1,8-bis[(4-tert-butylphenyl)thio]-4,5-bis(phenylthio)anthracene-9,10-dione IUPAC Name: 1,8-bis[(4-tert-butylphenyl)sulfanyl]-4,5-bis(phenylsulfanyl)anthracene-9,10-dione Traditional Name: 1,8-bis[(4-tert-butylphenyl)thio]-4,5-bis(phenylthio)-9,10-anthraquinone Formula: C46H40O2S4 MolecularWeight: 753.0686

Click to see the large picture

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(C=CC(=C5C3=O)SC6=CC=C(C=C6)C(C)(C)C)SC7=CC=CC=C7

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC=C(C=C6)C(C)(C)C)SC7=CC=CC=C7

InChI

InChI=1S/C46H40O2S4/c1-45(2,3)29-17-21-33(22-18-29)51-37-27-25-35(49-31-13-9-7-10-14-31)39-41(37)44(48)42-38(52-34-23-19-30(20-24-34)46(4,5)6)28-26-36(40(42)43(39)47)50-32-15-11-8-12-16-32/h7-28H,1-6H3