5-chloranyl-3-phenethyl-thiophene-2-carboxylate

Systemtic Name: 5-chloranyl-3-phenethyl-thiophene-2-carboxylate Openeye Name: 5-chloro-3-phenethyl-thiophene-2-carboxylate CAS Name: 5-chloro-3-phenethyl-2-thiophenecarboxylate IUPAC Name: 5-chloro-3-phenethylthiophene-2-carboxylate Traditional Name: 5-chloro-3-phenethyl-2-thenoate Formula: C13H10ClO2S- MolecularWeight: 265.7353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(SC(=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(SC(=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C13H11ClO2S/c14-11-8-10(12(17-11)13(15)16)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)/p-1