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

Systemtic Name: 2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]acetic acid CAS Name: 2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]acetic acid IUPAC Name: 2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]acetic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3S/c1-10(2)13-5-4-12(8-11(13)3)17-6-7-18-9-14(15)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)