3-(2-carboxyethyl)-9-oxidanylidene-thioxanthene-1-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-9-oxidanylidene-thioxanthene-1-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-9-oxo-thioxanthene-1-carboxylic acid CAS Name: 3-(2-carboxyethyl)-9-oxo-1-thioxanthenecarboxylic acid IUPAC Name: 3-(2-carboxyethyl)-9-oxothioxanthene-1-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-9-keto-thioxanthene-1-carboxylic acid Formula: C17H12O5S MolecularWeight: 328.33918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)O)CCC(=O)O

InChI

InChI=1S/C17H12O5S/c18-14(19)6-5-9-7-11(17(21)22)15-13(8-9)23-12-4-2-1-3-10(12)16(15)20/h1-4,7-8H,5-6H2,(H,18,19)(H,21,22)