sodium [(3R,4S)-4-[oxidanidyl(oxidanyl)phosphinothioyl]oxyoxan-3-yl] (Z)-octadec-9-enoate

Systemtic Name: sodium [(3R,4S)-4-[oxidanidyl(oxidanyl)phosphinothioyl]oxyoxan-3-yl] (Z)-octadec-9-enoate Openeye Name: sodium [(3R,4S)-4-[hydroxy(oxido)phosphinothioyl]oxytetrahydropyran-3-yl] (Z)-octadec-9-enoate CAS Name: sodium (Z)-9-octadecenoic acid [(3R,4S)-4-[hydroxy(oxido)phosphinothioyl]oxy-3-oxanyl] ester IUPAC Name: sodium [(3R,4S)-4-[hydroxy(oxido)phosphinothioyl]oxyoxan-3-yl] (Z)-octadec-9-enoate Traditional Name: sodium (Z)-octadec-9-enoic acid [(3R,4S)-4-[hydroxy(oxido)thiophosphoryl]oxytetrahydropyran-3-yl] ester Formula: C23H42NaO6PS MolecularWeight: 500.604511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1COCCC1OP(=S)(O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1COCC[C@@H]1OP(=S)(O)[O-].[Na+]

InChI

InChI=1S/C23H43O6PS.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)28-22-20-27-19-18-21(22)29-30(25,26)31;/h9-10,21-22H,2-8,11-20H2,1H3,(H2,25,26,31);/q;+1/p-1/b10-9-;/t21-,22+;/m0./s1