3-(5-carboxy-2-ethoxycarbonyl-phenyl)carbonyloxycarbonyl-4-ethoxycarbonyl-benzoic acid

Systemtic Name: 3-(5-carboxy-2-ethoxycarbonyl-phenyl)carbonyloxycarbonyl-4-ethoxycarbonyl-benzoic acid Openeye Name: 3-(5-carboxy-2-ethoxycarbonyl-benzoyl)oxycarbonyl-4-ethoxycarbonyl-benzoic acid CAS Name: 3-[[(5-carboxy-2-ethoxycarbonylphenyl)-oxomethoxy]-oxomethyl]-4-ethoxycarbonylbenzoic acid IUPAC Name: 3-(5-carboxy-2-ethoxycarbonylbenzoyl)oxycarbonyl-4-ethoxycarbonylbenzoic acid Traditional Name: 4-carbethoxy-3-(2-carbethoxy-5-carboxy-benzoyl)oxycarbonyl-benzoic acid Formula: C22H18O11 MolecularWeight: 458.37172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)OCC

InChI

InChI=1S/C22H18O11/c1-3-31-19(27)13-7-5-11(17(23)24)9-15(13)21(29)33-22(30)16-10-12(18(25)26)6-8-14(16)20(28)32-4-2/h5-10H,3-4H2,1-2H3,(H,23,24)(H,25,26)