[3-tert-butyl-2,2-bis(hydroxymethyl)-4,4-dimethyl-3-phenoxy-pentyl] phosphono hydrogen phosphate

Systemtic Name: [3-tert-butyl-2,2-bis(hydroxymethyl)-4,4-dimethyl-3-phenoxy-pentyl] phosphono hydrogen phosphate Openeye Name: [3-tert-butyl-2,2-bis(hydroxymethyl)-4,4-dimethyl-3-phenoxy-pentyl] phosphono hydrogen phosphate CAS Name: [3-tert-butyl-2,2-bis(hydroxymethyl)-4,4-dimethyl-3-phenoxypentyl] phosphono hydrogen phosphate IUPAC Name: [3-tert-butyl-2,2-bis(hydroxymethyl)-4,4-dimethyl-3-phenoxypentyl] phosphono hydrogen phosphate Traditional Name: (3-tert-butyl-4,4-dimethyl-2,2-dimethylol-3-phenoxy-pentyl) phosphono hydrogen phosphate Formula: C19H34O10P2 MolecularWeight: 484.414782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(C)(C)C)(C(CO)(CO)COP(=O)(O)OP(=O)(O)O)OC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(C(C)(C)C)(C(CO)(CO)COP(=O)(O)OP(=O)(O)O)OC1=CC=CC=C1

InChI

InChI=1S/C19H34O10P2/c1-16(2,3)19(17(4,5)6,28-15-10-8-7-9-11-15)18(12-20,13-21)14-27-31(25,26)29-30(22,23)24/h7-11,20-21H,12-14H2,1-6H3,(H,25,26)(H2,22,23,24)