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4-phenyl-2-sulfanyl-pentanoic acid

4-phenyl-2-sulfanyl-pentanoic acid

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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