1,4,5,8-tetrakis[(6-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,4,5,8-tetrakis[(6-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[(6-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[(6-tert-butyl-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[(6-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[(6-tert-butyl-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C58H52N4O2S8 MolecularWeight: 1093.57908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=C(C=C6)C(C)(C)C)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=C(C=C9)C(C)(C)C)SC1=NC2=C(S1)C=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=C(C=C6)C(C)(C)C)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=C(C=C9)C(C)(C)C)SC1=NC2=C(S1)C=C(C=C2)C(C)(C)C

InChI

InChI=1S/C58H52N4O2S8/c1-55(2,3)29-13-17-33-41(25-29)69-51(59-33)65-37-21-22-38(66-52-60-34-18-14-30(56(4,5)6)26-42(34)70-52)46-45(37)49(63)47-39(67-53-61-35-19-15-31(57(7,8)9)27-43(35)71-53)23-24-40(48(47)50(46)64)68-54-62-36-20-16-32(58(10,11)12)28-44(36)72-54/h13-28H,1-12H3