[3-ethyl-7-(5-ethyl-5-phosphonooxy-heptoxy)heptan-3-yl] dihydrogen phosphate

Systemtic Name: [3-ethyl-7-(5-ethyl-5-phosphonooxy-heptoxy)heptan-3-yl] dihydrogen phosphate Openeye Name: [1,1-diethyl-5-(5-ethyl-5-phosphonooxy-heptoxy)pentyl] dihydrogen phosphate CAS Name: [3-ethyl-7-(5-ethyl-5-phosphonooxyheptoxy)heptan-3-yl] dihydrogen phosphate IUPAC Name: [3-ethyl-7-(5-ethyl-5-phosphonooxyheptoxy)heptan-3-yl] dihydrogen phosphate Traditional Name: [1,1-diethyl-5-(5-ethyl-5-phosphonooxy-heptoxy)pentyl] dihydrogen phosphate Formula: C18H40O9P2 MolecularWeight: 462.452322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCCOCCCCC(CC)(CC)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CCC(CC)(CCCCOCCCCC(CC)(CC)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C18H40O9P2/c1-5-17(6-2,26-28(19,20)21)13-9-11-15-25-16-12-10-14-18(7-3,8-4)27-29(22,23)24/h5-16H2,1-4H3,(H2,19,20,21)(H2,22,23,24)