[(2S,3S,5S)-3-(diethoxyphosphinothioylmethyl)-5-prop-2-enyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,5S)-3-(diethoxyphosphinothioylmethyl)-5-prop-2-enyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,5S)-5-allyl-3-(diethoxyphosphinothioylmethyl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,5S)-3-(diethoxyphosphinothioylmethyl)-5-prop-2-enyl-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5S)-3-(diethoxyphosphinothioylmethyl)-5-prop-2-enyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,5S)-5-allyl-3-(diethoxythiophosphorylmethyl)tetrahydrofuran-2-yl]methyl ester Formula: C20H29O5PS MolecularWeight: 412.480021

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(CC1CC(OC1COC(=O)C2=CC=CC=C2)CC=C)OCC

Isomeric SMILES

CCOP(=S)(C[C@H]1C[C@@H](O[C@@H]1COC(=O)C2=CC=CC=C2)CC=C)OCC

InChI

InChI=1S/C20H29O5PS/c1-4-10-18-13-17(15-26(27,23-5-2)24-6-3)19(25-18)14-22-20(21)16-11-8-7-9-12-16/h4,7-9,11-12,17-19H,1,5-6,10,13-15H2,2-3H3/t17-,18+,19-/m1/s1