[2-[bis(2-ethylhexoxy)phosphoryl]-1,4-dicarboxyoxy-butan-2-yl] hydrogen carbonate

Systemtic Name: [2-[bis(2-ethylhexoxy)phosphoryl]-1,4-dicarboxyoxy-butan-2-yl] hydrogen carbonate Openeye Name: [1-[bis(2-ethylhexoxy)phosphoryl]-3-carboxyoxy-1-(carboxyoxymethyl)propyl] hydrogen carbonate CAS Name: carbonic acid [2-[bis(2-ethylhexoxy)phosphoryl]-1,4-dicarboxyoxybutan-2-yl] ester IUPAC Name: [2-[bis(2-ethylhexoxy)phosphoryl]-1,4-dicarboxyoxybutan-2-yl] hydrogen carbonate Traditional Name: carbonic acid [1-[bis(2-ethylhexoxy)phosphoryl]-3-carboxyoxy-1-(carboxyoxymethyl)propyl] ester Formula: C23H43O12P MolecularWeight: 542.554081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COP(=O)(C(CCOC(=O)O)(COC(=O)O)OC(=O)O)OCC(CC)CCCC

Isomeric SMILES

CCCCC(CC)COP(=O)(C(CCOC(=O)O)(COC(=O)O)OC(=O)O)OCC(CC)CCCC

InChI

InChI=1S/C23H43O12P/c1-5-9-11-18(7-3)15-33-36(30,34-16-19(8-4)12-10-6-2)23(35-22(28)29,17-32-21(26)27)13-14-31-20(24)25/h18-19H,5-17H2,1-4H3,(H,24,25)(H,26,27)(H,28,29)