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

Systemtic Name: 7-methyl-3-nitro-9-oxidanylidene-thioxanthene-1-carboxylic acid Openeye Name: 7-methyl-3-nitro-9-oxo-thioxanthene-1-carboxylic acid CAS Name: 7-methyl-3-nitro-9-oxo-1-thioxanthenecarboxylic acid IUPAC Name: 7-methyl-3-nitro-9-oxothioxanthene-1-carboxylic acid Traditional Name: 9-keto-7-methyl-3-nitro-thioxanthene-1-carboxylic acid Formula: C15H9NO5S MolecularWeight: 315.30066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C2=O)C(=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C2=O)C(=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H9NO5S/c1-7-2-3-11-9(4-7)14(17)13-10(15(18)19)5-8(16(20)21)6-12(13)22-11/h2-6H,1H3,(H,18,19)