1,4,6-tris(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1,4,6-tris(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione Openeye Name: 1,4,6-tris(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione CAS Name: 1,4,6-tris(1,3-benzothiazol-2-ylthio)anthracene-9,10-dione IUPAC Name: 1,4,6-tris(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione Traditional Name: 1,4,6-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=CC4=C(C=C3)C(=O)C5=C(C=CC(=C5C4=O)SC6=NC7=CC=CC=C7S6)SC8=NC9=CC=CC=C9S8

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC4=C(C=C3)C(=O)C5=C(C=CC(=C5C4=O)SC6=NC7=CC=CC=C7S6)SC8=NC9=CC=CC=C9S8

InChI

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