9-butyl-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid

Systemtic Name: 9-butyl-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid Openeye Name: 9-butyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid CAS Name: 9-butyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid IUPAC Name: 9-butyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid Traditional Name: 9-butyl-4-keto-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SCC3=C2OC(=CC3=O)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SCC3=C2OC(=CC3=O)C(=O)O

InChI

InChI=1S/C17H16O4S/c1-2-3-4-10-5-6-15-11(7-10)16-12(9-22-15)13(18)8-14(21-16)17(19)20/h5-8H,2-4,9H2,1H3,(H,19,20)