3-methylbutyl 3-chloranyl-2-methyl-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: 3-methylbutyl 3-chloranyl-2-methyl-2-oxidanyl-3-phenyl-propanoate Openeye Name: isopentyl 3-chloro-2-hydroxy-2-methyl-3-phenyl-propanoate CAS Name: 3-chloro-2-hydroxy-2-methyl-3-phenylpropanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-chloro-2-hydroxy-2-methyl-3-phenylpropanoate Traditional Name: 3-chloro-2-hydroxy-2-methyl-3-phenyl-propionic acid isoamyl ester Formula: C15H21ClO3 MolecularWeight: 284.77844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO3/c1-11(2)9-10-19-14(17)15(3,18)13(16)12-7-5-4-6-8-12/h4-8,11,13,18H,9-10H2,1-3H3