2-phenyl-2-sulfanyl-pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-2-8-11(14,10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H,12,13)