3-butyl-4-chloranyl-thiophene-2-carboxylic acid

Systemtic Name: 3-butyl-4-chloranyl-thiophene-2-carboxylic acid Openeye Name: 3-butyl-4-chloro-thiophene-2-carboxylic acid CAS Name: 3-butyl-4-chloro-2-thiophenecarboxylic acid IUPAC Name: 3-butyl-4-chlorothiophene-2-carboxylic acid Traditional Name: 3-butyl-4-chloro-2-thenoic acid Formula: C9H11ClO2S MolecularWeight: 218.70044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC=C1Cl)C(=O)O

Isomeric SMILES

CCCCC1=C(SC=C1Cl)C(=O)O

InChI

InChI=1S/C9H11ClO2S/c1-2-3-4-6-7(10)5-13-8(6)9(11)12/h5H,2-4H2,1H3,(H,11,12)