(2,3,5-tributyl-4,6-dicarboxyoxy-phenyl) hydrogen carbonate

Systemtic Name: (2,3,5-tributyl-4,6-dicarboxyoxy-phenyl) hydrogen carbonate Openeye Name: (2,3,5-tributyl-4,6-dicarboxyoxy-phenyl) hydrogen carbonate CAS Name: carbonic acid (2,3,5-tributyl-4,6-dicarboxyoxyphenyl) ester IUPAC Name: (2,3,5-tributyl-4,6-dicarboxyoxyphenyl) hydrogen carbonate Traditional Name: carbonic acid (2,3,5-tributyl-4,6-dicarboxyoxy-phenyl) ester Formula: C21H30O9 MolecularWeight: 426.4575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1OC(=O)O)CCCC)OC(=O)O)OC(=O)O)CCCC

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1OC(=O)O)CCCC)OC(=O)O)OC(=O)O)CCCC

InChI

InChI=1S/C21H30O9/c1-4-7-10-13-14(11-8-5-2)17(29-20(24)25)18(30-21(26)27)15(12-9-6-3)16(13)28-19(22)23/h4-12H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)