sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate

Systemtic Name: sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate Openeye Name: sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate CAS Name: sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate IUPAC Name: sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate Traditional Name: sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate Formula: C22H42NaO6P MolecularWeight: 456.528811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1COC(CO1)COP(=O)(O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1COC(CO1)COP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C22H43O6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-27-22(19-26-21)20-28-29(23,24)25;/h9-10,21-22H,2-8,11-20H2,1H3,(H2,23,24,25);/q;+1/p-1/b10-9+;