1,6-dinitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid

Systemtic Name: 1,6-dinitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Openeye Name: 1,6-dinitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid CAS Name: 1,6-dinitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid IUPAC Name: 1,6-dinitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Traditional Name: 1,6-dinitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Formula: C19H10N2O8S MolecularWeight: 426.3563

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C(C=C4C(=C31)C(=CC(=C4C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2SC3=C(C=C4C(=C31)C(=CC(=C4C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H10N2O8S/c22-18(23)11-7-12(20(26)27)15-9(16(11)19(24)25)6-13(21(28)29)17-10(15)5-8-3-1-2-4-14(8)30-17/h1-4,6-7H,5H2,(H,22,23)(H,24,25)