[8-(5,5-dimethyl-6-phosphonooxy-hexoxy)-4,4-dimethyl-octyl] dihydrogen phosphate

Systemtic Name: [8-(5,5-dimethyl-6-phosphonooxy-hexoxy)-4,4-dimethyl-octyl] dihydrogen phosphate Openeye Name: [8-(5,5-dimethyl-6-phosphonooxy-hexoxy)-4,4-dimethyl-octyl] dihydrogen phosphate CAS Name: [8-(5,5-dimethyl-6-phosphonooxyhexoxy)-4,4-dimethyloctyl] dihydrogen phosphate IUPAC Name: [8-(5,5-dimethyl-6-phosphonooxyhexoxy)-4,4-dimethyloctyl] dihydrogen phosphate Traditional Name: [8-(5,5-dimethyl-6-phosphonooxy-hexoxy)-4,4-dimethyl-octyl] dihydrogen phosphate Formula: C18H40O9P2 MolecularWeight: 462.452322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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