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

Systemtic Name: 1,4,5,8-tetrakis[(6-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[(6-bromo-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[(6-bromo-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[(6-bromo-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[(6-bromo-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C42H16Br4N4O2S8 MolecularWeight: 1184.73804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=C(C=C6)Br)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=C(C=C9)Br)SC1=NC2=C(S1)C=C(C=C2)Br

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=C(C=C6)Br)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=C(C=C9)Br)SC1=NC2=C(S1)C=C(C=C2)Br

InChI

InChI=1S/C42H16Br4N4O2S8/c43-17-1-5-21-29(13-17)57-39(47-21)53-25-9-10-26(54-40-48-22-6-2-18(44)14-30(22)58-40)34-33(25)37(51)35-27(55-41-49-23-7-3-19(45)15-31(23)59-41)11-12-28(36(35)38(34)52)56-42-50-24-8-4-20(46)16-32(24)60-42/h1-16H