methyl 4-[(1S,2R)-2,3-dimethyl-1-oxidanyl-but-3-enyl]benzoate

Systemtic Name: methyl 4-[(1S,2R)-2,3-dimethyl-1-oxidanyl-but-3-enyl]benzoate Openeye Name: methyl 4-[(1S,2R)-1-hydroxy-2,3-dimethyl-but-3-enyl]benzoate CAS Name: 4-[(1S,2R)-1-hydroxy-2,3-dimethylbut-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1S,2R)-1-hydroxy-2,3-dimethylbut-3-enyl]benzoate Traditional Name: 4-[(1S,2R)-1-hydroxy-2,3-dimethyl-but-3-enyl]benzoic acid methyl ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=C(C=C1)C(=O)OC)O)C(=C)C

InChI

InChI=1S/C14H18O3/c1-9(2)10(3)13(15)11-5-7-12(8-6-11)14(16)17-4/h5-8,10,13,15H,1H2,2-4H3/t10-,13+/m1/s1