5-(2,4-dimethylphenyl)sulfanylpentanoate

Systemtic Name: 5-(2,4-dimethylphenyl)sulfanylpentanoate Openeye Name: 5-(2,4-dimethylphenyl)sulfanylpentanoate CAS Name: 5-[(2,4-dimethylphenyl)thio]pentanoate IUPAC Name: 5-(2,4-dimethylphenyl)sulfanylpentanoate Traditional Name: 5-[(2,4-dimethylphenyl)thio]valerate Formula: C13H17O2S- MolecularWeight: 237.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)SCCCCC(=O)[O-])C

InChI

InChI=1S/C13H18O2S/c1-10-6-7-12(11(2)9-10)16-8-4-3-5-13(14)15/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)/p-1