3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]propanoic acid IUPAC Name: 3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]propionic acid Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSCCC(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSCCC(=O)O)C(C)C

InChI

InChI=1S/C15H22O3S/c1-11(2)14-5-4-13(10-12(14)3)18-7-9-19-8-6-15(16)17/h4-5,10-11H,6-9H2,1-3H3,(H,16,17)