7-methoxy-3-nitro-9-oxidanylidene-thioxanthene-1-carboxylic acid

Systemtic Name: 7-methoxy-3-nitro-9-oxidanylidene-thioxanthene-1-carboxylic acid Openeye Name: 7-methoxy-3-nitro-9-oxo-thioxanthene-1-carboxylic acid CAS Name: 7-methoxy-3-nitro-9-oxo-1-thioxanthenecarboxylic acid IUPAC Name: 7-methoxy-3-nitro-9-oxothioxanthene-1-carboxylic acid Traditional Name: 9-keto-7-methoxy-3-nitro-thioxanthene-1-carboxylic acid Formula: C15H9NO6S MolecularWeight: 331.30006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=C(C2=O)C(=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=C(C2=O)C(=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H9NO6S/c1-22-8-2-3-11-9(6-8)14(17)13-10(15(18)19)4-7(16(20)21)5-12(13)23-11/h2-6H,1H3,(H,18,19)