3-(2-chloranylphenoxy)-2-hexanoyl-oxirane-2-carboxylic acid

Systemtic Name: 3-(2-chloranylphenoxy)-2-hexanoyl-oxirane-2-carboxylic acid Openeye Name: 3-(2-chlorophenoxy)-2-hexanoyl-oxirane-2-carboxylic acid CAS Name: 3-(2-chlorophenoxy)-2-(1-oxohexyl)-2-oxiranecarboxylic acid IUPAC Name: 3-(2-chlorophenoxy)-2-hexanoyloxirane-2-carboxylic acid Traditional Name: 2-caproyl-3-(2-chlorophenoxy)oxirane-2-carboxylic acid Formula: C15H17ClO5 MolecularWeight: 312.74548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1(C(O1)OC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CCCCCC(=O)C1(C(O1)OC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C15H17ClO5/c1-2-3-4-9-12(17)15(13(18)19)14(21-15)20-11-8-6-5-7-10(11)16/h5-8,14H,2-4,9H2,1H3,(H,18,19)