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

Systemtic Name: 1,4,5,8-tetrakis[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[(4-tert-butylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[(4-tert-butylphenyl)thio]-9,10-anthraquinone Formula: C54H56O2S4 MolecularWeight: 865.28124

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=C(C=C4)C(C)(C)C)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=C(C=C4)C(C)(C)C)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/C54H56O2S4/c1-51(2,3)33-13-21-37(22-14-33)57-41-29-30-42(58-38-23-15-34(16-24-38)52(4,5)6)46-45(41)49(55)47-43(59-39-25-17-35(18-26-39)53(7,8)9)31-32-44(48(47)50(46)56)60-40-27-19-36(20-28-40)54(10,11)12/h13-32H,1-12H3