2-[4-(2-methyl-3-oxidanylidene-3-sulfanyl-propyl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-(2-methyl-3-oxidanylidene-3-sulfanyl-propyl)phenoxy]ethanoic acid Openeye Name: 2-[4-(2-methyl-3-oxo-3-sulfanyl-propyl)phenoxy]acetic acid CAS Name: 2-[4-(3-mercapto-2-methyl-3-oxopropyl)phenoxy]acetic acid IUPAC Name: 2-[4-(2-methyl-3-oxo-3-sulfanylpropyl)phenoxy]acetic acid Traditional Name: 2-[4-(3-keto-3-mercapto-2-methyl-propyl)phenoxy]acetic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCC(=O)O)C(=O)S

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCC(=O)O)C(=O)S

InChI

InChI=1S/C12H14O4S/c1-8(12(15)17)6-9-2-4-10(5-3-9)16-7-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,17)