2-phenyl-4-sulfanyl-pentanoic acid

Systemtic Name: 2-phenyl-4-sulfanyl-pentanoic acid Openeye Name: 2-phenyl-4-sulfanyl-pentanoic acid CAS Name: 4-mercapto-2-phenylpentanoic acid IUPAC Name: 2-phenyl-4-sulfanylpentanoic acid Traditional Name: 4-mercapto-2-phenyl-valeric acid Formula: C11H14O2S MolecularWeight: 210.29266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-8(14)7-10(11(12)13)9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)