[(2R,3S,4S)-4-methyl-2-oxidanyl-3-phenylmethoxy-hex-5-enyl] benzoate

Systemtic Name: [(2R,3S,4S)-4-methyl-2-oxidanyl-3-phenylmethoxy-hex-5-enyl] benzoate Openeye Name: [(2R,3S,4S)-3-benzyloxy-2-hydroxy-4-methyl-hex-5-enyl] benzoate CAS Name: benzoic acid [(2R,3S,4S)-2-hydroxy-4-methyl-3-phenylmethoxyhex-5-enyl] ester IUPAC Name: [(2R,3S,4S)-2-hydroxy-4-methyl-3-phenylmethoxyhex-5-enyl] benzoate Traditional Name: benzoic acid [(2R,3S,4S)-3-benzoxy-2-hydroxy-4-methyl-hex-5-enyl] ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(C(COC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C=C)[C@@H]([C@@H](COC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24O4/c1-3-16(2)20(24-14-17-10-6-4-7-11-17)19(22)15-25-21(23)18-12-8-5-9-13-18/h3-13,16,19-20,22H,1,14-15H2,2H3/t16-,19+,20-/m0/s1