2-[3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfanyl-3-chloro-phenyl]acetic acid CAS Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]thio]-3-chlorophenyl]acetic acid IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfanyl-3-chlorophenyl]acetic acid Traditional Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]thio]-3-chloro-phenyl]acetic acid Formula: C22H25ClO6S MolecularWeight: 452.9483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSC2=C(C=C(C=C2)CC(=O)O)Cl)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSC2=C(C=C(C=C2)CC(=O)O)Cl)O

InChI

InChI=1S/C22H25ClO6S/c1-3-4-17-19(7-6-16(13(2)24)22(17)28)29-11-15(25)12-30-20-8-5-14(9-18(20)23)10-21(26)27/h5-9,15,25,28H,3-4,10-12H2,1-2H3,(H,26,27)