2-(2-propan-2-ylphenyl)sulfanylpentanoate

Systemtic Name: 2-(2-propan-2-ylphenyl)sulfanylpentanoate Openeye Name: 2-(2-isopropylphenyl)sulfanylpentanoate CAS Name: 2-[(2-propan-2-ylphenyl)thio]pentanoate IUPAC Name: 2-(2-propan-2-ylphenyl)sulfanylpentanoate Traditional Name: 2-(o-cumenylthio)valerate Formula: C14H19O2S- MolecularWeight: 251.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])SC1=CC=CC=C1C(C)C

Isomeric SMILES

CCCC(C(=O)[O-])SC1=CC=CC=C1C(C)C

InChI

InChI=1S/C14H20O2S/c1-4-7-13(14(15)16)17-12-9-6-5-8-11(12)10(2)3/h5-6,8-10,13H,4,7H2,1-3H3,(H,15,16)/p-1