sodium [(2R,3R,4S)-2-ethyl-3-[(E)-octadec-9-enoyl]oxy-oxan-4-yl] hydrogen phosphate

Systemtic Name: sodium [(2R,3R,4S)-2-ethyl-3-[(E)-octadec-9-enoyl]oxy-oxan-4-yl] hydrogen phosphate Openeye Name: sodium [(2R,3R,4S)-2-ethyl-3-[(E)-octadec-9-enoyl]oxy-tetrahydropyran-4-yl] hydrogen phosphate CAS Name: sodium [(2R,3R,4S)-2-ethyl-3-[(E)-1-oxooctadec-9-enoxy]-4-oxanyl] hydrogen phosphate IUPAC Name: sodium [(2R,3R,4S)-2-ethyl-3-[(E)-octadec-9-enoyl]oxyoxan-4-yl] hydrogen phosphate Traditional Name: sodium [(2R,3R,4S)-2-ethyl-3-[(E)-octadec-9-enoyl]oxy-tetrahydropyran-4-yl] hydrogen phosphate Formula: C25H46NaO7P MolecularWeight: 512.592071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1C(CCOC1CC)OP(=O)(O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C25H47O7P.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)31-25-22(4-2)30-21-20-23(25)32-33(27,28)29;/h11-12,22-23,25H,3-10,13-21H2,1-2H3,(H2,27,28,29);/q;+1/p-1/b12-11+;/t22-,23+,25-;/m1./s1