hexan-2-yl 2-chloranyl-4-oxidanyl-benzoate

Systemtic Name: hexan-2-yl 2-chloranyl-4-oxidanyl-benzoate Openeye Name: 1-methylpentyl 2-chloro-4-hydroxy-benzoate CAS Name: 2-chloro-4-hydroxybenzoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 2-chloro-4-hydroxybenzoate Traditional Name: 2-chloro-4-hydroxy-benzoic acid 1-methylpentyl ester Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)C1=C(C=C(C=C1)O)Cl

Isomeric SMILES

CCCCC(C)OC(=O)C1=C(C=C(C=C1)O)Cl

InChI

InChI=1S/C13H17ClO3/c1-3-4-5-9(2)17-13(16)11-7-6-10(15)8-12(11)14/h6-9,15H,3-5H2,1-2H3