methyl 5-(5-chloranyl-2-oxidanyl-phenyl)-5-methyl-hexanoate

Systemtic Name: methyl 5-(5-chloranyl-2-oxidanyl-phenyl)-5-methyl-hexanoate Openeye Name: methyl 5-(5-chloro-2-hydroxy-phenyl)-5-methyl-hexanoate CAS Name: 5-(5-chloro-2-hydroxyphenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(5-chloro-2-hydroxyphenyl)-5-methylhexanoate Traditional Name: 5-(5-chloro-2-hydroxy-phenyl)-5-methyl-hexanoic acid methyl ester Formula: C14H19ClO3 MolecularWeight: 270.75186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)OC)C1=C(C=CC(=C1)Cl)O

Isomeric SMILES

CC(C)(CCCC(=O)OC)C1=C(C=CC(=C1)Cl)O

InChI

InChI=1S/C14H19ClO3/c1-14(2,8-4-5-13(17)18-3)11-9-10(15)6-7-12(11)16/h6-7,9,16H,4-5,8H2,1-3H3