2-(1,3-benzothiazol-2-ylsulfanyl)-1,4-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1,4-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1,4-dihydroxy-anthracene-9,10-dione CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1,4-dihydroxyanthracene-9,10-dione IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1,4-dihydroxyanthracene-9,10-dione Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1,4-dihydroxy-9,10-anthraquinone Formula: C21H11NO4S2 MolecularWeight: 405.44634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SC4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SC4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C21H11NO4S2/c23-13-9-15(28-21-22-12-7-3-4-8-14(12)27-21)20(26)17-16(13)18(24)10-5-1-2-6-11(10)19(17)25/h1-9,23,26H