5-phenyl-2-sulfanylidene-pentanoic acid

Systemtic Name: 5-phenyl-2-sulfanylidene-pentanoic acid Openeye Name: 5-phenyl-2-thioxo-pentanoic acid CAS Name: 5-phenyl-2-sulfanylidenepentanoic acid IUPAC Name: 5-phenyl-2-sulfanylidenepentanoic acid Traditional Name: 5-phenyl-2-thioxo-valeric acid Formula: C11H12O2S MolecularWeight: 208.27678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=S)C(=O)O

InChI

InChI=1S/C11H12O2S/c12-11(13)10(14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)