2-oxidanyl-3-phenyl-2-sulfanyl-pentanoate

Systemtic Name: 2-oxidanyl-3-phenyl-2-sulfanyl-pentanoate Openeye Name: 2-hydroxy-3-phenyl-2-sulfanyl-pentanoate CAS Name: 2-hydroxy-2-mercapto-3-phenylpentanoate IUPAC Name: 2-hydroxy-3-phenyl-2-sulfanylpentanoate Traditional Name: 2-hydroxy-2-mercapto-3-phenyl-valerate Formula: C11H13O3S- MolecularWeight: 225.28412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C(=O)[O-])(O)S

Isomeric SMILES

CCC(C1=CC=CC=C1)C(C(=O)[O-])(O)S

InChI

InChI=1S/C11H14O3S/c1-2-9(11(14,15)10(12)13)8-6-4-3-5-7-8/h3-7,9,14-15H,2H2,1H3,(H,12,13)/p-1