5-(4-chlorophenyl)-2-methylsulfanyl-pent-4-ynoic acid

Systemtic Name: 5-(4-chlorophenyl)-2-methylsulfanyl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-methylsulfanyl-pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-(methylthio)-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-methylsulfanylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-(methylthio)pent-4-ynoic acid Formula: C12H11ClO2S MolecularWeight: 254.73254

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC#CC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CSC(CC#CC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C12H11ClO2S/c1-16-11(12(14)15)4-2-3-9-5-7-10(13)8-6-9/h5-8,11H,4H2,1H3,(H,14,15)