methyl 5-(3-chloranyl-2-oxidanyl-phenyl)-5-methyl-hexanoate

Systemtic Name: methyl 5-(3-chloranyl-2-oxidanyl-phenyl)-5-methyl-hexanoate Openeye Name: methyl 5-(3-chloro-2-hydroxy-phenyl)-5-methyl-hexanoate CAS Name: 5-(3-chloro-2-hydroxyphenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(3-chloro-2-hydroxyphenyl)-5-methylhexanoate Traditional Name: 5-(3-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(2,9-5-8-12(16)18-3)10-6-4-7-11(15)13(10)17/h4,6-7,17H,5,8-9H2,1-3H3