2-(hydroxymethyl)dodecane-1,12-diol phosphate

Systemtic Name: 2-(hydroxymethyl)dodecane-1,12-diol phosphate Openeye Name: 2-(hydroxymethyl)dodecane-1,12-diol phosphate CAS Name: 2-(hydroxymethyl)dodecane-1,12-diol phosphate IUPAC Name: 2-(hydroxymethyl)dodecane-1,12-diol phosphate Traditional Name: 2-methyloldodecane-1,12-diol phosphate Formula: C13H28O7P-3 MolecularWeight: 327.330981

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCO)CCCCC(CO)CO.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C(CCCCCO)CCCCC(CO)CO.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C13H28O3.H3O4P/c14-10-8-6-4-2-1-3-5-7-9-13(11-15)12-16;1-5(2,3)4/h13-16H,1-12H2;(H3,1,2,3,4)/p-3