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

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

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

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=C(S2)C=CC4=C3C=CC(=C4C(=O)O)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C(C3=C(S2)C=CC4=C3C=CC(=C4C(=O)O)C(=O)O)[N+](=O)[O-]


InChI

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


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