3-(1,3-benzothiazol-2-yl)-1,6,8-trimethoxy-anthracene-9,10-dione

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1,6,8-trimethoxy-anthracene-9,10-dione Openeye Name: 3-(1,3-benzothiazol-2-yl)-1,6,8-trimethoxy-anthracene-9,10-dione CAS Name: 3-(1,3-benzothiazol-2-yl)-1,6,8-trimethoxyanthracene-9,10-dione IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1,6,8-trimethoxyanthracene-9,10-dione Traditional Name: 3-(1,3-benzothiazol-2-yl)-1,6,8-trimethoxy-9,10-anthraquinone Formula: C24H17NO5S MolecularWeight: 431.46048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)C4=NC5=CC=CC=C5S4)OC)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)C4=NC5=CC=CC=C5S4)OC)OC

InChI

InChI=1S/C24H17NO5S/c1-28-13-10-15-21(18(11-13)30-3)23(27)20-14(22(15)26)8-12(9-17(20)29-2)24-25-16-6-4-5-7-19(16)31-24/h4-11H,1-3H3