8-(4-chlorophenyl)-2-ethoxycarbonyl-octanoic acid

Systemtic Name: 8-(4-chlorophenyl)-2-ethoxycarbonyl-octanoic acid Openeye Name: 8-(4-chlorophenyl)-2-ethoxycarbonyl-octanoic acid CAS Name: 8-(4-chlorophenyl)-2-ethoxycarbonyloctanoic acid IUPAC Name: 8-(4-chlorophenyl)-2-ethoxycarbonyloctanoic acid Traditional Name: 2-carbethoxy-8-(4-chlorophenyl)caprylic acid Formula: C17H23ClO4 MolecularWeight: 326.81512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCCCCC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C17H23ClO4/c1-2-22-17(21)15(16(19)20)8-6-4-3-5-7-13-9-11-14(18)12-10-13/h9-12,15H,2-8H2,1H3,(H,19,20)