2-[1-(4-propan-2-ylphenyl)pentylsulfanyl]propanoic acid

Systemtic Name: 2-[1-(4-propan-2-ylphenyl)pentylsulfanyl]propanoic acid Openeye Name: 2-[1-(4-isopropylphenyl)pentylsulfanyl]propanoic acid CAS Name: 2-[1-(4-propan-2-ylphenyl)pentylthio]propanoic acid IUPAC Name: 2-[1-(4-propan-2-ylphenyl)pentylsulfanyl]propanoic acid Traditional Name: 2-(1-p-cumenylpentylthio)propionic acid Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)C(C)C)SC(C)C(=O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)C(C)C)SC(C)C(=O)O

InChI

InChI=1S/C17H26O2S/c1-5-6-7-16(20-13(4)17(18)19)15-10-8-14(9-11-15)12(2)3/h8-13,16H,5-7H2,1-4H3,(H,18,19)