[(1R,5S)-2,6,6-trimethyl-5-oxidanyl-cyclohex-2-en-1-yl]methyl 4-bromanylbenzoate

Systemtic Name: [(1R,5S)-2,6,6-trimethyl-5-oxidanyl-cyclohex-2-en-1-yl]methyl 4-bromanylbenzoate Openeye Name: [(1R,5S)-5-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1R,5S)-5-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]methyl ester IUPAC Name: [(1R,5S)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R,5S)-5-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]methyl ester Formula: C17H21BrO3 MolecularWeight: 353.25084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1COC(=O)C2=CC=C(C=C2)Br)(C)C)O

Isomeric SMILES

CC1=CC[C@@H](C([C@@H]1COC(=O)C2=CC=C(C=C2)Br)(C)C)O

InChI

InChI=1S/C17H21BrO3/c1-11-4-9-15(19)17(2,3)14(11)10-21-16(20)12-5-7-13(18)8-6-12/h4-8,14-15,19H,9-10H2,1-3H3/t14-,15+/m1/s1