2-[4-[2-chloranyl-4-(hydroxymethyl)phenyl]sulfanyl-2,5-dimethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-chloranyl-4-(hydroxymethyl)phenyl]sulfanyl-2,5-dimethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-chloro-4-(hydroxymethyl)phenyl]sulfanyl-2,5-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-[[2-chloro-4-(hydroxymethyl)phenyl]thio]-2,5-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-[2-chloro-4-(hydroxymethyl)phenyl]sulfanyl-2,5-dimethylphenoxy]acetic acid Traditional Name: 2-[4-[(2-chloro-4-methylol-phenyl)thio]-2,5-dimethyl-phenoxy]acetic acid Formula: C17H17ClO4S MolecularWeight: 352.83248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC2=C(C=C(C=C2)CO)Cl)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1SC2=C(C=C(C=C2)CO)Cl)C)OCC(=O)O

InChI

InChI=1S/C17H17ClO4S/c1-10-6-16(11(2)5-14(10)22-9-17(20)21)23-15-4-3-12(8-19)7-13(15)18/h3-7,19H,8-9H2,1-2H3,(H,20,21)