[2,2-bis(hydroxymethyl)-3-phosphonooxy-propyl] heptanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-phosphonooxy-propyl] heptanoate Openeye Name: [2,2-bis(hydroxymethyl)-3-phosphonooxy-propyl] heptanoate CAS Name: heptanoic acid [2,2-bis(hydroxymethyl)-3-phosphonooxypropyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-3-phosphonooxypropyl] heptanoate Traditional Name: enanthic acid (2,2-dimethylol-3-phosphonooxy-propyl) ester Formula: C12H25O8P MolecularWeight: 328.295861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(CO)(CO)COP(=O)(O)O

Isomeric SMILES

CCCCCCC(=O)OCC(CO)(CO)COP(=O)(O)O

InChI

InChI=1S/C12H25O8P/c1-2-3-4-5-6-11(15)19-9-12(7-13,8-14)10-20-21(16,17)18/h13-14H,2-10H2,1H3,(H2,16,17,18)