4-(4-carboxy-3-ethoxycarbonyl-phenoxy)-2-ethoxycarbonyl-benzoic acid

Systemtic Name: 4-(4-carboxy-3-ethoxycarbonyl-phenoxy)-2-ethoxycarbonyl-benzoic acid Openeye Name: 4-(4-carboxy-3-ethoxycarbonyl-phenoxy)-2-ethoxycarbonyl-benzoic acid CAS Name: 4-(4-carboxy-3-ethoxycarbonylphenoxy)-2-ethoxycarbonylbenzoic acid IUPAC Name: 4-(4-carboxy-3-ethoxycarbonylphenoxy)-2-ethoxycarbonylbenzoic acid Traditional Name: 2-carbethoxy-4-(3-carbethoxy-4-carboxy-phenoxy)benzoic acid Formula: C20H18O9 MolecularWeight: 402.35152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)OCC)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)OCC)C(=O)O

InChI

InChI=1S/C20H18O9/c1-3-27-19(25)15-9-11(5-7-13(15)17(21)22)29-12-6-8-14(18(23)24)16(10-12)20(26)28-4-2/h5-10H,3-4H2,1-2H3,(H,21,22)(H,23,24)