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

Systemtic Name: 1,4,5,8-tetrakis[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[(6-methylsulfonyl-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[(6-mesyl-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C46H28N4O10S12 MolecularWeight: 1181.51532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H28N4O10S12/c1-69(53,54)21-5-9-25-33(17-21)65-43(47-25)61-29-13-14-30(62-44-48-26-10-6-22(70(2,55)56)18-34(26)66-44)38-37(29)41(51)39-31(63-45-49-27-11-7-23(71(3,57)58)19-35(27)67-45)15-16-32(40(39)42(38)52)64-46-50-28-12-8-24(72(4,59)60)20-36(28)68-46/h5-20H,1-4H3