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

Systemtic Name: 1,4,5,8-tetrakis[(4-fluoranyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[(4-fluoro-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[(4-fluoro-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[(4-fluoro-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[(4-fluoro-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C42H16F4N4O2S8 MolecularWeight: 941.115653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=N2)SC3=C4C(=C(C=C3)SC5=NC6=C(C=CC=C6S5)F)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(C=CC=C9S8)F)SC1=NC2=C(C=CC=C2S1)F)F

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=N2)SC3=C4C(=C(C=C3)SC5=NC6=C(C=CC=C6S5)F)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(C=CC=C9S8)F)SC1=NC2=C(C=CC=C2S1)F)F

InChI

InChI=1S/C42H16F4N4O2S8/c43-17-5-1-9-25-33(17)47-39(57-25)53-21-13-14-22(54-40-48-34-18(44)6-2-10-26(34)58-40)30-29(21)37(51)31-23(55-41-49-35-19(45)7-3-11-27(35)59-41)15-16-24(32(31)38(30)52)56-42-50-36-20(46)8-4-12-28(36)60-42/h1-16H