[8-(5,5-dimethyl-7-phosphonooxy-heptoxy)-4,4-dimethyl-octyl] dihydrogen phosphate

Systemtic Name: [8-(5,5-dimethyl-7-phosphonooxy-heptoxy)-4,4-dimethyl-octyl] dihydrogen phosphate Openeye Name: [8-(5,5-dimethyl-7-phosphonooxy-heptoxy)-4,4-dimethyl-octyl] dihydrogen phosphate CAS Name: [8-(5,5-dimethyl-7-phosphonooxyheptoxy)-4,4-dimethyloctyl] dihydrogen phosphate IUPAC Name: [8-(5,5-dimethyl-7-phosphonooxyheptoxy)-4,4-dimethyloctyl] dihydrogen phosphate Traditional Name: [8-(5,5-dimethyl-7-phosphonooxy-heptoxy)-4,4-dimethyl-octyl] dihydrogen phosphate Formula: C19H42O9P2 MolecularWeight: 476.478902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42O9P2/c1-18(2,12-9-16-27-29(20,21)22)10-5-7-14-26-15-8-6-11-19(3,4)13-17-28-30(23,24)25/h5-17H2,1-4H3,(H2,20,21,22)(H2,23,24,25)