2-(phenylmethyl)-4-sulfanylidene-pentanoic acid

Systemtic Name: 2-(phenylmethyl)-4-sulfanylidene-pentanoic acid Openeye Name: 2-benzyl-4-thioxo-pentanoic acid CAS Name: 2-(phenylmethyl)-4-sulfanylidenepentanoic acid IUPAC Name: 2-benzyl-4-sulfanylidenepentanoic acid Traditional Name: 2-benzyl-4-thioxo-valeric acid Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)CC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=S)CC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H14O2S/c1-9(15)7-11(12(13)14)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)