sodium [(3S,4R)-4-[(E)-octadec-9-enoyl]oxyoxolan-3-yl] hydrogen phosphate

Systemtic Name: sodium [(3S,4R)-4-[(E)-octadec-9-enoyl]oxyoxolan-3-yl] hydrogen phosphate Openeye Name: sodium [(3S,4R)-4-[(E)-octadec-9-enoyl]oxytetrahydrofuran-3-yl] hydrogen phosphate CAS Name: sodium [(3S,4R)-4-[(E)-1-oxooctadec-9-enoxy]-3-oxolanyl] hydrogen phosphate IUPAC Name: sodium [(3S,4R)-4-[(E)-octadec-9-enoyl]oxyoxolan-3-yl] hydrogen phosphate Traditional Name: sodium [(3S,4R)-4-[(E)-octadec-9-enoyl]oxytetrahydrofuran-3-yl] hydrogen phosphate Formula: C22H40NaO7P MolecularWeight: 470.512331

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1COCC1OP(=O)(O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H41O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)28-20-18-27-19-21(20)29-30(24,25)26;/h9-10,20-21H,2-8,11-19H2,1H3,(H2,24,25,26);/q;+1/p-1/b10-9+;/t20-,21+;/m1./s1