1,4,5-tris(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1,4,5-tris(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione Openeye Name: 1,4,5-tris(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione CAS Name: 1,4,5-tris(1,3-benzothiazol-2-ylthio)anthracene-9,10-dione IUPAC Name: 1,4,5-tris(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione Traditional Name: 1,4,5-tris(1,3-benzothiazol-2-ylthio)-9,10-anthraquinone Formula: C35H17N3O2S6 MolecularWeight: 703.91838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=CC=CC=C6S5)C(=O)C7=C(C4=O)C=CC=C7SC8=NC9=CC=CC=C9S8

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=CC=CC=C6S5)C(=O)C7=C(C4=O)C=CC=C7SC8=NC9=CC=CC=C9S8

InChI

InChI=1S/C35H17N3O2S6/c39-31-18-8-7-15-25(44-33-36-19-9-1-4-12-22(19)41-33)28(18)32(40)30-27(46-35-38-21-11-3-6-14-24(21)43-35)17-16-26(29(30)31)45-34-37-20-10-2-5-13-23(20)42-34/h1-17H