2-[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]sulfanylacetic acid CAS Name: 2-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]thio]acetic acid IUPAC Name: 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]sulfanylacetic acid Traditional Name: 2-[[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]thio]acetic acid Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)SCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)SCC(=O)O

InChI

InChI=1S/C19H22O4S/c1-11(2)16-9-14(5-6-17(16)20)23-19-12(3)7-15(8-13(19)4)24-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22)