4-oxidanylidene-6-(2-oxidanylpropoxy)thiochromene-2-carboxylic acid

Systemtic Name: 4-oxidanylidene-6-(2-oxidanylpropoxy)thiochromene-2-carboxylic acid Openeye Name: 6-(2-hydroxypropoxy)-4-oxo-thiochromene-2-carboxylic acid CAS Name: 6-(2-hydroxypropoxy)-4-oxo-1-benzothiopyran-2-carboxylic acid IUPAC Name: 6-(2-hydroxypropoxy)-4-oxothiochromene-2-carboxylic acid Traditional Name: 6-(2-hydroxypropoxy)-4-keto-thiochromene-2-carboxylic acid Formula: C13H12O5S MolecularWeight: 280.29638

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC2=C(C=C1)SC(=CC2=O)C(=O)O)O

Isomeric SMILES

CC(COC1=CC2=C(C=C1)SC(=CC2=O)C(=O)O)O

InChI

InChI=1S/C13H12O5S/c1-7(14)6-18-8-2-3-11-9(4-8)10(15)5-12(19-11)13(16)17/h2-5,7,14H,6H2,1H3,(H,16,17)