3-(3-chloranylpropoxy)-2-[2-(1-hydroxyethyl)-6-propyl-phenoxy]-2-oxidanyl-propanoic acid

Systemtic Name: 3-(3-chloranylpropoxy)-2-[2-(1-hydroxyethyl)-6-propyl-phenoxy]-2-oxidanyl-propanoic acid Openeye Name: 3-(3-chloropropoxy)-2-hydroxy-2-[2-(1-hydroxyethyl)-6-propyl-phenoxy]propanoic acid CAS Name: 3-(3-chloropropoxy)-2-hydroxy-2-[2-(1-hydroxyethyl)-6-propylphenoxy]propanoic acid IUPAC Name: 3-(3-chloropropoxy)-2-hydroxy-2-[2-(1-hydroxyethyl)-6-propylphenoxy]propanoic acid Traditional Name: 3-(3-chloropropoxy)-2-hydroxy-2-[2-(1-hydroxyethyl)-6-propyl-phenoxy]propionic acid Formula: C17H25ClO6 MolecularWeight: 360.8298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)C(C)O)OC(COCCCCl)(C(=O)O)O

Isomeric SMILES

CCCC1=C(C(=CC=C1)C(C)O)OC(COCCCCl)(C(=O)O)O

InChI

InChI=1S/C17H25ClO6/c1-3-6-13-7-4-8-14(12(2)19)15(13)24-17(22,16(20)21)11-23-10-5-9-18/h4,7-8,12,19,22H,3,5-6,9-11H2,1-2H3,(H,20,21)