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

Systemtic Name: 1,4,5-tris[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5-tris[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5-tris[(6-methoxy-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5-tris[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5-tris[(6-methoxy-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C38H23N3O5S6 MolecularWeight: 793.99632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=C(C=C6)OC)C(=O)C7=C(C4=O)C=CC=C7SC8=NC9=C(S8)C=C(C=C9)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=C(C=C6)OC)C(=O)C7=C(C4=O)C=CC=C7SC8=NC9=C(S8)C=C(C=C9)OC

InChI

InChI=1S/C38H23N3O5S6/c1-44-18-7-10-22-28(15-18)50-36(39-22)47-25-6-4-5-21-31(25)35(43)33-27(49-38-41-24-12-9-20(46-3)17-30(24)52-38)14-13-26(32(33)34(21)42)48-37-40-23-11-8-19(45-2)16-29(23)51-37/h4-17H,1-3H3