methyl 5-[3-chloranyl-2,4-bis(oxidanyl)phenyl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[3-chloranyl-2,4-bis(oxidanyl)phenyl]-5-methyl-hexanoate Openeye Name: methyl 5-(3-chloro-2,4-dihydroxy-phenyl)-5-methyl-hexanoate CAS Name: 5-(3-chloro-2,4-dihydroxyphenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(3-chloro-2,4-dihydroxyphenyl)-5-methylhexanoate Traditional Name: 5-(3-chloro-2,4-dihydroxy-phenyl)-5-methyl-hexanoic acid methyl ester Formula: C14H19ClO4 MolecularWeight: 286.75126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO4/c1-14(2,8-4-5-11(17)19-3)9-6-7-10(16)12(15)13(9)18/h6-7,16,18H,4-5,8H2,1-3H3