1,4,5-tris[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,4,5-tris[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5-tris[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5-tris[(7-methyl-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5-tris[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5-tris[(7-methyl-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C38H23N3O2S6 MolecularWeight: 745.99812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=CC=CC(=C6S5)C)C(=O)C7=C(C4=O)C=CC=C7SC8=NC9=CC=CC(=C9S8)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(S2)SC3=C4C(=C(C=C3)SC5=NC6=CC=CC(=C6S5)C)C(=O)C7=C(C4=O)C=CC=C7SC8=NC9=CC=CC(=C9S8)C

InChI

InChI=1S/C38H23N3O2S6/c1-18-8-4-12-22-33(18)47-36(39-22)44-25-15-7-11-21-28(25)32(43)30-27(46-38-41-24-14-6-10-20(3)35(24)49-38)17-16-26(29(30)31(21)42)45-37-40-23-13-5-9-19(2)34(23)48-37/h4-17H,1-3H3