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

Systemtic Name: 1,4,5,8-tetrakis[(6-ethyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[(6-ethyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[(6-ethyl-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[(6-ethyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[(6-ethyl-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C50H36N4O2S8 MolecularWeight: 981.36644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=C(C=C6)CC)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=C(C=C9)CC)SC1=NC2=C(S1)C=C(C=C2)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=C(C=C6)CC)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=C(C=C9)CC)SC1=NC2=C(S1)C=C(C=C2)CC

InChI

InChI=1S/C50H36N4O2S8/c1-5-25-9-13-29-37(21-25)61-47(51-29)57-33-17-18-34(58-48-52-30-14-10-26(6-2)22-38(30)62-48)42-41(33)45(55)43-35(59-49-53-31-15-11-27(7-3)23-39(31)63-49)19-20-36(44(43)46(42)56)60-50-54-32-16-12-28(8-4)24-40(32)64-50/h9-24H,5-8H2,1-4H3