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2-(4-cyanophenyl)sulfanylpentanoic acid

2-(4-cyanophenyl)sulfanylpentanoic acid

Systemtic Name:2-(4-cyanophenyl)sulfanylpentanoic acid
Openeye Name:2-(4-cyanophenyl)sulfanylpentanoic acid
CAS Name:2-[(4-cyanophenyl)thio]pentanoic acid
IUPAC Name:2-(4-cyanophenyl)sulfanylpentanoic acid
Traditional Name:2-[(4-cyanophenyl)thio]valeric acid
Formula: C12H13NO2S
MolecularWeight: 235.30212
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=CC=C(C=C1)C#N


Isomeric SMILES

CCCC(C(=O)O)SC1=CC=C(C=C1)C#N


InChI

InChI=1S/C12H13NO2S/c1-2-3-11(12(14)15)16-10-6-4-9(8-13)5-7-10/h4-7,11H,2-3H2,1H3,(H,14,15)


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