1,3,5,7-tetrakis(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1,3,5,7-tetrakis(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione Openeye Name: 1,3,5,7-tetrakis(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione CAS Name: 1,3,5,7-tetrakis(1,3-benzothiazol-2-ylthio)anthracene-9,10-dione IUPAC Name: 1,3,5,7-tetrakis(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione Traditional Name: 1,3,5,7-tetrakis(1,3-benzothiazol-2-ylthio)-9,10-anthraquinone Formula: C42H20N4O2S8 MolecularWeight: 869.1538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=C4C(=C3)C(=O)C5=C(C=C(C=C5C4=O)SC6=NC7=CC=CC=C7S6)SC8=NC9=CC=CC=C9S8)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=C4C(=C3)C(=O)C5=C(C=C(C=C5C4=O)SC6=NC7=CC=CC=C7S6)SC8=NC9=CC=CC=C9S8)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C42H20N4O2S8/c47-37-23-17-21(49-39-43-25-9-1-5-13-29(25)51-39)19-33(55-41-45-27-11-3-7-15-31(27)53-41)35(23)38(48)24-18-22(50-40-44-26-10-2-6-14-30(26)52-40)20-34(36(24)37)56-42-46-28-12-4-8-16-32(28)54-42/h1-20H