[3-(4-chloranylphenoxy)-3-oxidanyl-butyl] hexanoate

Systemtic Name: [3-(4-chloranylphenoxy)-3-oxidanyl-butyl] hexanoate Openeye Name: [3-(4-chlorophenoxy)-3-hydroxy-butyl] hexanoate CAS Name: hexanoic acid [3-(4-chlorophenoxy)-3-hydroxybutyl] ester IUPAC Name: [3-(4-chlorophenoxy)-3-hydroxybutyl] hexanoate Traditional Name: hexanoic acid [3-(4-chlorophenoxy)-3-hydroxy-butyl] ester Formula: C16H23ClO4 MolecularWeight: 314.80442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCCC(C)(O)OC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCCC(=O)OCCC(C)(O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H23ClO4/c1-3-4-5-6-15(18)20-12-11-16(2,19)21-14-9-7-13(17)8-10-14/h7-10,19H,3-6,11-12H2,1-2H3