9,10-dimethyl-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid

Systemtic Name: 9,10-dimethyl-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Openeye Name: 9,10-dimethyl-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid CAS Name: 9,10-dimethyl-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid IUPAC Name: 9,10-dimethyl-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Traditional Name: 9,10-dimethyl-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Formula: C21H16O4S MolecularWeight: 364.41434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC3=C(S2)C=CC4=C3C=CC(=C4C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CC3=C(S2)C=CC4=C3C=CC(=C4C(=O)O)C(=O)O)C

InChI

InChI=1S/C21H16O4S/c1-10-7-12-9-16-13-3-4-15(20(22)23)19(21(24)25)14(13)5-6-17(16)26-18(12)8-11(10)2/h3-8H,9H2,1-2H3,(H,22,23)(H,24,25)