5-(4-propan-2-ylphenyl)sulfanylpentanoic acid

Systemtic Name: 5-(4-propan-2-ylphenyl)sulfanylpentanoic acid Openeye Name: 5-(4-isopropylphenyl)sulfanylpentanoic acid CAS Name: 5-[(4-propan-2-ylphenyl)thio]pentanoic acid IUPAC Name: 5-(4-propan-2-ylphenyl)sulfanylpentanoic acid Traditional Name: 5-(p-cumenylthio)valeric acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCCCCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCCCCC(=O)O

InChI

InChI=1S/C14H20O2S/c1-11(2)12-6-8-13(9-7-12)17-10-4-3-5-14(15)16/h6-9,11H,3-5,10H2,1-2H3,(H,15,16)