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

Systemtic Name: 1,4,5,8-tetrakis[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[(5-chloro-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[(5-chloro-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C42H16Cl4N4O2S8 MolecularWeight: 1006.93404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=CC(=C6)Cl)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=CC(=C9)Cl)SC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=CC(=C6)Cl)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=CC(=C9)Cl)SC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C42H16Cl4N4O2S8/c43-17-1-5-25-21(13-17)47-39(53-25)57-29-9-10-30(58-40-48-22-14-18(44)2-6-26(22)54-40)34-33(29)37(51)35-31(59-41-49-23-15-19(45)3-7-27(23)55-41)11-12-32(36(35)38(34)52)60-42-50-24-16-20(46)4-8-28(24)56-42/h1-16H