[7-(5,5-dimethyl-7-phosphonooxy-heptoxy)-3,3-dimethyl-heptyl] dihydrogen phosphate

Systemtic Name: [7-(5,5-dimethyl-7-phosphonooxy-heptoxy)-3,3-dimethyl-heptyl] dihydrogen phosphate Openeye Name: [7-(5,5-dimethyl-7-phosphonooxy-heptoxy)-3,3-dimethyl-heptyl] dihydrogen phosphate CAS Name: [7-(5,5-dimethyl-7-phosphonooxyheptoxy)-3,3-dimethylheptyl] dihydrogen phosphate IUPAC Name: [7-(5,5-dimethyl-7-phosphonooxyheptoxy)-3,3-dimethylheptyl] dihydrogen phosphate Traditional Name: [7-(5,5-dimethyl-7-phosphonooxy-heptoxy)-3,3-dimethyl-heptyl] dihydrogen phosphate Formula: C18H40O9P2 MolecularWeight: 462.452322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOCCCCC(C)(C)CCOP(=O)(O)O)CCOP(=O)(O)O

Isomeric SMILES

CC(C)(CCCCOCCCCC(C)(C)CCOP(=O)(O)O)CCOP(=O)(O)O

InChI

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