1,4,5-tris[(6-ethylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,4,5-tris[(6-ethylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5-tris[(6-ethylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5-tris[(6-ethylsulfonyl-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5-tris[(6-ethylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5-tris[(6-esyl-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C41H29N3O8S9 MolecularWeight: 980.26926

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=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)CC)C(=O)C7=C(C4=O)C=CC=C7SC8=NC9=C(S8)C=C(C=C9)S(=O)(=O)CC

Isomeric SMILES

CCS(=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)CC)C(=O)C7=C(C4=O)C=CC=C7SC8=NC9=C(S8)C=C(C=C9)S(=O)(=O)CC

InChI

InChI=1S/C41H29N3O8S9/c1-4-59(47,48)21-10-13-25-31(18-21)56-39(42-25)53-28-9-7-8-24-34(28)38(46)36-30(55-41-44-27-15-12-23(20-33(27)58-41)61(51,52)6-3)17-16-29(35(36)37(24)45)54-40-43-26-14-11-22(19-32(26)57-40)60(49,50)5-2/h7-20H,4-6H2,1-3H3