[(3R,5S)-5-[(4-methoxyphenyl)methoxy]-1-oxidanyl-oct-7-yn-3-yl] benzoate

Systemtic Name: [(3R,5S)-5-[(4-methoxyphenyl)methoxy]-1-oxidanyl-oct-7-yn-3-yl] benzoate Openeye Name: [(1R,3S)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methoxy]hex-5-ynyl] benzoate CAS Name: benzoic acid [(3R,5S)-1-hydroxy-5-[(4-methoxyphenyl)methoxy]oct-7-yn-3-yl] ester IUPAC Name: [(3R,5S)-1-hydroxy-5-[(4-methoxyphenyl)methoxy]oct-7-yn-3-yl] benzoate Traditional Name: benzoic acid [(1R,3S)-1-(2-hydroxyethyl)-3-p-anisyloxy-hex-5-ynyl] ester Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(CC#C)CC(CCO)OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CO[C@@H](CC#C)C[C@@H](CCO)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H26O5/c1-3-7-21(27-17-18-10-12-20(26-2)13-11-18)16-22(14-15-24)28-23(25)19-8-5-4-6-9-19/h1,4-6,8-13,21-22,24H,7,14-17H2,2H3/t21-,22+/m0/s1