[6-(5,5-dimethyl-7-phosphonooxy-heptoxy)-2,2-dimethyl-hexyl] dihydrogen phosphate

Systemtic Name: [6-(5,5-dimethyl-7-phosphonooxy-heptoxy)-2,2-dimethyl-hexyl] dihydrogen phosphate Openeye Name: [6-(5,5-dimethyl-7-phosphonooxy-heptoxy)-2,2-dimethyl-hexyl] dihydrogen phosphate CAS Name: [6-(5,5-dimethyl-7-phosphonooxyheptoxy)-2,2-dimethylhexyl] dihydrogen phosphate IUPAC Name: [6-(5,5-dimethyl-7-phosphonooxyheptoxy)-2,2-dimethylhexyl] dihydrogen phosphate Traditional Name: [6-(5,5-dimethyl-7-phosphonooxy-heptoxy)-2,2-dimethyl-hexyl] dihydrogen phosphate Formula: C17H38O9P2 MolecularWeight: 448.425742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H38O9P2/c1-16(2,11-14-25-27(18,19)20)9-5-7-12-24-13-8-6-10-17(3,4)15-26-28(21,22)23/h5-15H2,1-4H3,(H2,18,19,20)(H2,21,22,23)