methyl 4-[(2R,4S)-4-oxidanylpentan-2-yl]benzoate

Systemtic Name: methyl 4-[(2R,4S)-4-oxidanylpentan-2-yl]benzoate Openeye Name: methyl 4-[(1R,3S)-3-hydroxy-1-methyl-butyl]benzoate CAS Name: 4-[(2R,4S)-4-hydroxypentan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R,4S)-4-hydroxypentan-2-yl]benzoate Traditional Name: 4-[(1R,3S)-3-hydroxy-1-methyl-butyl]benzoic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-9(8-10(2)14)11-4-6-12(7-5-11)13(15)16-3/h4-7,9-10,14H,8H2,1-3H3/t9-,10+/m1/s1