2-(4-chloranyl-2-methyl-phenoxy)-4-ethyl-octanoic acid

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-4-ethyl-octanoic acid Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-4-ethyl-octanoic acid CAS Name: 2-(4-chloro-2-methylphenoxy)-4-ethyloctanoic acid IUPAC Name: 2-(4-chloro-2-methylphenoxy)-4-ethyloctanoic acid Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-4-ethyl-caprylic acid Formula: C17H25ClO3 MolecularWeight: 312.8316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(=O)O)OC1=C(C=C(C=C1)Cl)C

Isomeric SMILES

CCCCC(CC)CC(C(=O)O)OC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C17H25ClO3/c1-4-6-7-13(5-2)11-16(17(19)20)21-15-9-8-14(18)10-12(15)3/h8-10,13,16H,4-7,11H2,1-3H3,(H,19,20)