[4-ethoxycarbonyl-3-(2-oxidanylhexoxycarbonyl)hexan-3-yl]phosphonic acid

Systemtic Name: [4-ethoxycarbonyl-3-(2-oxidanylhexoxycarbonyl)hexan-3-yl]phosphonic acid Openeye Name: [2-ethoxycarbonyl-1-ethyl-1-(2-hydroxyhexoxycarbonyl)butyl]phosphonic acid CAS Name: [4-ethoxycarbonyl-3-[2-hydroxyhexoxy(oxo)methyl]hexan-3-yl]phosphonic acid IUPAC Name: [4-ethoxycarbonyl-3-(2-hydroxyhexoxycarbonyl)hexan-3-yl]phosphonic acid Traditional Name: [2-carbethoxy-1-ethyl-1-(2-hydroxyhexoxycarbonyl)butyl]phosphonic acid Formula: C16H31O8P MolecularWeight: 382.386301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COC(=O)C(CC)(C(CC)C(=O)OCC)P(=O)(O)O)O

Isomeric SMILES

CCCCC(COC(=O)C(CC)(C(CC)C(=O)OCC)P(=O)(O)O)O

InChI

InChI=1S/C16H31O8P/c1-5-9-10-12(17)11-24-15(19)16(7-3,25(20,21)22)13(6-2)14(18)23-8-4/h12-13,17H,5-11H2,1-4H3,(H2,20,21,22)