4-oxidanylidene-8-propyl-7-sulfanyl-chromene-2-carboxylic acid

Systemtic Name: 4-oxidanylidene-8-propyl-7-sulfanyl-chromene-2-carboxylic acid Openeye Name: 4-oxo-8-propyl-7-sulfanyl-chromene-2-carboxylic acid CAS Name: 7-mercapto-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 4-oxo-8-propyl-7-sulfanylchromene-2-carboxylic acid Traditional Name: 4-keto-7-mercapto-8-propyl-chromene-2-carboxylic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)S

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)S

InChI

InChI=1S/C13H12O4S/c1-2-3-8-11(18)5-4-7-9(14)6-10(13(15)16)17-12(7)8/h4-6,18H,2-3H2,1H3,(H,15,16)