3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]propanoic acid IUPAC Name: 3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]propionic acid Formula: C13H12O5S MolecularWeight: 280.29638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C=C2CSCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2CSCCC(=O)O

InChI

InChI=1S/C13H12O5S/c14-9-1-2-10-8(7-19-4-3-12(15)16)5-13(17)18-11(10)6-9/h1-2,5-6,14H,3-4,7H2,(H,15,16)