sodium [2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate

Systemtic Name: sodium [2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate Openeye Name: sodium [2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate CAS Name: sodium [2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate IUPAC Name: sodium [2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate Traditional Name: sodium [2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate Formula: C21H40NaO6P MolecularWeight: 442.502231

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1OCC(O1)COP(=O)(O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1OCC(O1)COP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C21H41O6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24;/h9-10,20-21H,2-8,11-19H2,1H3,(H2,22,23,24);/q;+1/p-1/b10-9+;