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

Systemtic Name: 1,4,5-tris[(4-tert-butylphenyl)sulfanyl]-8-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1,4,5-tris[(4-tert-butylphenyl)sulfanyl]-8-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1,4,5-tris[(4-tert-butylphenyl)thio]-8-(phenylthio)anthracene-9,10-dione IUPAC Name: 1,4,5-tris[(4-tert-butylphenyl)sulfanyl]-8-phenylsulfanylanthracene-9,10-dione Traditional Name: 1,4,5-tris[(4-tert-butylphenyl)thio]-8-(phenylthio)-9,10-anthraquinone Formula: C50H48O2S4 MolecularWeight: 809.17492

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

InChI

InChI=1S/C50H48O2S4/c1-48(2,3)31-15-21-35(22-16-31)54-39-28-27-38(53-34-13-11-10-12-14-34)42-43(39)47(52)45-41(56-37-25-19-33(20-26-37)50(7,8)9)30-29-40(44(45)46(42)51)55-36-23-17-32(18-24-36)49(4,5)6/h10-30H,1-9H3