6-(3-methylbutoxy)-4-oxidanylidene-thiochromene-2-carboxylic acid

Systemtic Name: 6-(3-methylbutoxy)-4-oxidanylidene-thiochromene-2-carboxylic acid Openeye Name: 6-isopentyloxy-4-oxo-thiochromene-2-carboxylic acid CAS Name: 6-(3-methylbutoxy)-4-oxo-1-benzothiopyran-2-carboxylic acid IUPAC Name: 6-(3-methylbutoxy)-4-oxothiochromene-2-carboxylic acid Traditional Name: 6-isoamoxy-4-keto-thiochromene-2-carboxylic acid Formula: C15H16O4S MolecularWeight: 292.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC2=C(C=C1)SC(=CC2=O)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC2=C(C=C1)SC(=CC2=O)C(=O)O

InChI

InChI=1S/C15H16O4S/c1-9(2)5-6-19-10-3-4-13-11(7-10)12(16)8-14(20-13)15(17)18/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)