5-(3-oxidanylidenebutyl)thiophene-2-carboxylic acid

Systemtic Name: 5-(3-oxidanylidenebutyl)thiophene-2-carboxylic acid Openeye Name: 5-(3-oxobutyl)thiophene-2-carboxylic acid CAS Name: 5-(3-oxobutyl)-2-thiophenecarboxylic acid IUPAC Name: 5-(3-oxobutyl)thiophene-2-carboxylic acid Traditional Name: 5-(3-ketobutyl)-2-thenoic acid Formula: C9H10O3S MolecularWeight: 198.2389

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(S1)C(=O)O

Isomeric SMILES

CC(=O)CCC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C9H10O3S/c1-6(10)2-3-7-4-5-8(13-7)9(11)12/h4-5H,2-3H2,1H3,(H,11,12)