2-[4-(2-chloranyl-4-methanoyl-phenyl)sulfanyl-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-(2-chloranyl-4-methanoyl-phenyl)sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-(2-chloro-4-formyl-phenyl)sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[(2-chloro-4-formylphenyl)thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-(2-chloro-4-formylphenyl)sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[(2-chloro-4-formyl-phenyl)thio]-2-methyl-phenoxy]acetic acid Formula: C16H13ClO4S MolecularWeight: 336.79002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=C(C=C(C=C2)C=O)Cl)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=C(C=C(C=C2)C=O)Cl)OCC(=O)O

InChI

InChI=1S/C16H13ClO4S/c1-10-6-12(3-4-14(10)21-9-16(19)20)22-15-5-2-11(8-18)7-13(15)17/h2-8H,9H2,1H3,(H,19,20)