3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]benzoic acid Openeye Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-3-chloro-benzoic acid CAS Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-chlorobenzoic acid IUPAC Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-3-chlorobenzoic acid Traditional Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-3-chloro-benzoic acid Formula: C21H23ClO7 MolecularWeight: 422.85612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C=C(C=C2)C(=O)O)Cl)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C=C(C=C2)C(=O)O)Cl)O

InChI

InChI=1S/C21H23ClO7/c1-3-4-16-18(8-6-15(12(2)23)20(16)25)28-10-14(24)11-29-19-7-5-13(21(26)27)9-17(19)22/h5-9,14,24-25H,3-4,10-11H2,1-2H3,(H,26,27)