5-(2-carboxyethylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 5-(2-carboxyethylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 5-(2-carboxyethylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-[(2-carboxyethylthio)methyl]-2-furancarboxylic acid IUPAC Name: 5-(2-carboxyethylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 5-[(2-carboxyethylthio)methyl]-2-furoic acid Formula: C9H10O5S MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)CSCCC(=O)O

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CSCCC(=O)O

InChI

InChI=1S/C9H10O5S/c10-8(11)3-4-15-5-6-1-2-7(14-6)9(12)13/h1-2H,3-5H2,(H,10,11)(H,12,13)