ethyl 2-[(3-bromophenyl)methyl]-2-methyl-6-oxidanyl-hexanoate

Systemtic Name: ethyl 2-[(3-bromophenyl)methyl]-2-methyl-6-oxidanyl-hexanoate Openeye Name: ethyl 2-[(3-bromophenyl)methyl]-6-hydroxy-2-methyl-hexanoate CAS Name: 2-[(3-bromophenyl)methyl]-6-hydroxy-2-methylhexanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)methyl]-6-hydroxy-2-methylhexanoate Traditional Name: 2-(3-bromobenzyl)-6-hydroxy-2-methyl-hexanoic acid ethyl ester Formula: C16H23BrO3 MolecularWeight: 343.25602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCCO)CC1=CC(=CC=C1)Br

Isomeric SMILES

CCOC(=O)C(C)(CCCCO)CC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H23BrO3/c1-3-20-15(19)16(2,9-4-5-10-18)12-13-7-6-8-14(17)11-13/h6-8,11,18H,3-5,9-10,12H2,1-2H3