1-phenyl-9-sulfanylidene-thioxanthene-3,4-dicarboxylic acid

Systemtic Name: 1-phenyl-9-sulfanylidene-thioxanthene-3,4-dicarboxylic acid Openeye Name: 1-phenyl-9-thioxo-thioxanthene-3,4-dicarboxylic acid CAS Name: 1-phenyl-9-sulfanylidenethioxanthene-3,4-dicarboxylic acid IUPAC Name: 1-phenyl-9-sulfanylidenethioxanthene-3,4-dicarboxylic acid Traditional Name: 1-phenyl-9-thioxo-thioxanthene-3,4-dicarboxylic acid Formula: C21H12O4S2 MolecularWeight: 392.44758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C3=C2C(=S)C4=CC=CC=C4S3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C3=C2C(=S)C4=CC=CC=C4S3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H12O4S2/c22-20(23)14-10-13(11-6-2-1-3-7-11)16-18(26)12-8-4-5-9-15(12)27-19(16)17(14)21(24)25/h1-10H,(H,22,23)(H,24,25)