phenethyl 2,2-bis(chloranyl)-3-methyl-3-oxidanyl-butanoate

Systemtic Name: phenethyl 2,2-bis(chloranyl)-3-methyl-3-oxidanyl-butanoate Openeye Name: phenethyl 2,2-dichloro-3-hydroxy-3-methyl-butanoate CAS Name: 2,2-dichloro-3-hydroxy-3-methylbutanoic acid phenethyl ester IUPAC Name: phenethyl 2,2-dichloro-3-hydroxy-3-methylbutanoate Traditional Name: 2,2-dichloro-3-hydroxy-3-methyl-butyric acid phenethyl ester Formula: C13H16Cl2O3 MolecularWeight: 291.17034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OCCC1=CC=CC=C1)(Cl)Cl)O

Isomeric SMILES

CC(C)(C(C(=O)OCCC1=CC=CC=C1)(Cl)Cl)O

InChI

InChI=1S/C13H16Cl2O3/c1-12(2,17)13(14,15)11(16)18-9-8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3