2-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(7-bromo-2-oxo-chromen-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(7-bromo-2-oxo-1-benzopyran-4-yl)methylthio]acetic acid IUPAC Name: 2-[(7-bromo-2-oxochromen-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(7-bromo-2-keto-chromen-4-yl)methylthio]acetic acid Formula: C12H9BrO4S MolecularWeight: 329.16646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC(=O)C=C2CSCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)OC(=O)C=C2CSCC(=O)O

InChI

InChI=1S/C12H9BrO4S/c13-8-1-2-9-7(5-18-6-11(14)15)3-12(16)17-10(9)4-8/h1-4H,5-6H2,(H,14,15)