10-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid

Systemtic Name: 10-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Openeye Name: 10-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid CAS Name: 10-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid IUPAC Name: 10-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Traditional Name: 10-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Formula: C19H11NO6S MolecularWeight: 381.35874

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])SC3=C1C4=C(C=C3)C(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])SC3=C1C4=C(C=C3)C(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C19H11NO6S/c21-18(22)13-3-2-11-12(17(13)19(23)24)4-6-16-14(11)8-9-7-10(20(25)26)1-5-15(9)27-16/h1-7H,8H2,(H,21,22)(H,23,24)