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

Systemtic Name: 1,4,5,8-tetrakis[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]-9,10-anthraquinone Formula: C46H16F12N4O2S8 MolecularWeight: 1141.145678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=CC(=C6)C(F)(F)F)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=CC(=C9)C(F)(F)F)SC1=NC2=C(S1)C=CC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=CC(=C6)C(F)(F)F)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=CC(=C9)C(F)(F)F)SC1=NC2=C(S1)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C46H16F12N4O2S8/c47-43(48,49)17-1-5-25-21(13-17)59-39(65-25)69-29-9-10-30(70-40-60-22-14-18(44(50,51)52)2-6-26(22)66-40)34-33(29)37(63)35-31(71-41-61-23-15-19(45(53,54)55)3-7-27(23)67-41)11-12-32(36(35)38(34)64)72-42-62-24-16-20(46(56,57)58)4-8-28(24)68-42/h1-16H