1-[4-(3-chloranyl-2-oxidanyl-propoxy)-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-(3-chloranyl-2-oxidanyl-propoxy)-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-(3-chloro-2-hydroxy-propoxy)-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-(3-chloro-2-hydroxypropoxy)-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-(3-chloro-2-hydroxypropoxy)-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-(3-chloro-2-hydroxy-propoxy)-2-hydroxy-3-propyl-phenyl]ethanone Formula: C14H19ClO4 MolecularWeight: 286.75126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CCl)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CCl)O

InChI

InChI=1S/C14H19ClO4/c1-3-4-12-13(19-8-10(17)7-15)6-5-11(9(2)16)14(12)18/h5-6,10,17-18H,3-4,7-8H2,1-2H3