9-oxidanylidene-1,2-bis(prop-2-enyl)thioxanthene-3,4-dicarboxylic acid

Systemtic Name: 9-oxidanylidene-1,2-bis(prop-2-enyl)thioxanthene-3,4-dicarboxylic acid Openeye Name: 1,2-diallyl-9-oxo-thioxanthene-3,4-dicarboxylic acid CAS Name: 9-oxo-1,2-bis(prop-2-enyl)thioxanthene-3,4-dicarboxylic acid IUPAC Name: 9-oxo-1,2-bis(prop-2-enyl)thioxanthene-3,4-dicarboxylic acid Traditional Name: 1,2-diallyl-9-keto-thioxanthene-3,4-dicarboxylic acid Formula: C21H16O5S MolecularWeight: 380.41374

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C2C(=C(C(=C1CC=C)C(=O)O)C(=O)O)SC3=CC=CC=C3C2=O

Isomeric SMILES

C=CCC1=C2C(=C(C(=C1CC=C)C(=O)O)C(=O)O)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H16O5S/c1-3-7-11-12(8-4-2)16-18(22)13-9-5-6-10-14(13)27-19(16)17(21(25)26)15(11)20(23)24/h3-6,9-10H,1-2,7-8H2,(H,23,24)(H,25,26)