sodium [(1S,2R)-2-[(E)-octadec-9-enoyl]oxycyclohexyl] hydrogen phosphate

Systemtic Name: sodium [(1S,2R)-2-[(E)-octadec-9-enoyl]oxycyclohexyl] hydrogen phosphate Openeye Name: sodium [(1S,2R)-2-[(E)-octadec-9-enoyl]oxycyclohexyl] hydrogen phosphate CAS Name: sodium [(1S,2R)-2-[(E)-1-oxooctadec-9-enoxy]cyclohexyl] hydrogen phosphate IUPAC Name: sodium [(1S,2R)-2-[(E)-octadec-9-enoyl]oxycyclohexyl] hydrogen phosphate Traditional Name: sodium [(1S,2R)-2-[(E)-octadec-9-enoyl]oxycyclohexyl] hydrogen phosphate Formula: C24H44NaO6P MolecularWeight: 482.566091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1CCCCC1OP(=O)(O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C24H45O6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(25)29-22-19-17-18-20-23(22)30-31(26,27)28;/h9-10,22-23H,2-8,11-21H2,1H3,(H2,26,27,28);/q;+1/p-1/b10-9+;/t22-,23+;/m1./s1