5-methoxy-1-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid

Systemtic Name: 5-methoxy-1-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Openeye Name: 5-methoxy-1-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid CAS Name: 5-methoxy-1-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid IUPAC Name: 5-methoxy-1-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Traditional Name: 5-methoxy-1-nitro-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Formula: C20H13NO7S MolecularWeight: 411.38472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC3=CC=CC=C3S2)C4=C(C=C(C(=C14)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(CC3=CC=CC=C3S2)C4=C(C=C(C(=C14)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO7S/c1-28-13-8-15-10(6-9-4-2-3-5-14(9)29-15)16-12(21(26)27)7-11(19(22)23)17(18(13)16)20(24)25/h2-5,7-8H,6H2,1H3,(H,22,23)(H,24,25)