4-[[3-[4-oxidanyl-3,4-bis(oxidanylidene)butanoyl]phenoxy]methyl]thiophene-3-carboxylic acid

Systemtic Name: 4-[[3-[4-oxidanyl-3,4-bis(oxidanylidene)butanoyl]phenoxy]methyl]thiophene-3-carboxylic acid Openeye Name: 4-[[3-(4-hydroxy-3,4-dioxo-butanoyl)phenoxy]methyl]thiophene-3-carboxylic acid CAS Name: 4-[[3-(4-hydroxy-1,3,4-trioxobutyl)phenoxy]methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-[[3-(4-hydroxy-3,4-dioxobutanoyl)phenoxy]methyl]thiophene-3-carboxylic acid Traditional Name: 4-[(3-oxalacetophenoxy)methyl]-3-thenoic acid Formula: C16H12O7S MolecularWeight: 348.32728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CSC=C2C(=O)O)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CSC=C2C(=O)O)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C16H12O7S/c17-13(5-14(18)16(21)22)9-2-1-3-11(4-9)23-6-10-7-24-8-12(10)15(19)20/h1-4,7-8H,5-6H2,(H,19,20)(H,21,22)