5-[(2-carboxy-5-chloranyl-4-sulfamoyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-carboxy-5-chloranyl-4-sulfamoyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(2-carboxy-5-chloro-4-sulfamoyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(2-carboxy-5-chloro-4-sulfamoylphenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-carboxy-5-chloro-4-sulfamoylphenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(2-carboxy-5-chloro-4-sulfamoyl-phenyl)thio]methyl]-2-furoic acid Formula: C13H10ClNO7S2 MolecularWeight: 391.804

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)CSC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CSC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H10ClNO7S2/c14-8-4-10(7(12(16)17)3-11(8)24(15,20)21)23-5-6-1-2-9(22-6)13(18)19/h1-4H,5H2,(H,16,17)(H,18,19)(H2,15,20,21)