[2-carboxyoxy-4-[2-(3,4-dicarboxyoxyphenyl)ethyl]phenyl] hydrogen carbonate

Systemtic Name: [2-carboxyoxy-4-[2-(3,4-dicarboxyoxyphenyl)ethyl]phenyl] hydrogen carbonate Openeye Name: [2-carboxyoxy-4-[2-(3,4-dicarboxyoxyphenyl)ethyl]phenyl] hydrogen carbonate CAS Name: carbonic acid [2-carboxyoxy-4-[2-(3,4-dicarboxyoxyphenyl)ethyl]phenyl] ester IUPAC Name: [2-carboxyoxy-4-[2-(3,4-dicarboxyoxyphenyl)ethyl]phenyl] hydrogen carbonate Traditional Name: carbonic acid [2-carboxyoxy-4-[2-(3,4-dicarboxyoxyphenyl)ethyl]phenyl] ester Formula: C18H14O12 MolecularWeight: 422.29656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC2=CC(=C(C=C2)OC(=O)O)OC(=O)O)OC(=O)O)OC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC2=CC(=C(C=C2)OC(=O)O)OC(=O)O)OC(=O)O)OC(=O)O

InChI

InChI=1S/C18H14O12/c19-15(20)27-11-5-3-9(7-13(11)29-17(23)24)1-2-10-4-6-12(28-16(21)22)14(8-10)30-18(25)26/h3-8H,1-2H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)