1,4,5,8-tetrakis(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1,4,5,8-tetrakis(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis(1,3-benzothiazol-2-ylthio)anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione Traditional Name: 1,4,5,8-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=C4C(=C(C=C3)SC5=NC6=CC=CC=C6S5)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=CC=CC=C9S8)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=CC=CC=C6S5)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=CC=CC=C9S8)SC1=NC2=CC=CC=C2S1

InChI

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