4-(carboxymethyl)-2,3-dihydrothiochromene-4-carboxylic acid

Systemtic Name: 4-(carboxymethyl)-2,3-dihydrothiochromene-4-carboxylic acid Openeye Name: 4-(carboxymethyl)thiochromane-4-carboxylic acid CAS Name: 4-(carboxymethyl)-2,3-dihydro-1-benzothiopyran-4-carboxylic acid IUPAC Name: 4-(carboxymethyl)-2,3-dihydrothiochromene-4-carboxylic acid Traditional Name: 4-(carboxymethyl)thiochroman-4-carboxylic acid Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1(CC(=O)O)C(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2C1(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H12O4S/c13-10(14)7-12(11(15)16)5-6-17-9-4-2-1-3-8(9)12/h1-4H,5-7H2,(H,13,14)(H,15,16)