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

Systemtic Name: 5-(3-carboxy-4-ethoxycarbonyl-phenyl)-2-ethoxycarbonyl-benzoic acid Openeye Name: 5-(3-carboxy-4-ethoxycarbonyl-phenyl)-2-ethoxycarbonyl-benzoic acid CAS Name: 5-(3-carboxy-4-ethoxycarbonylphenyl)-2-ethoxycarbonylbenzoic acid IUPAC Name: 5-(3-carboxy-4-ethoxycarbonylphenyl)-2-ethoxycarbonylbenzoic acid Traditional Name: 2-carbethoxy-5-(4-carbethoxy-3-carboxy-phenyl)benzoic acid Formula: C20H18O8 MolecularWeight: 386.35212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O8/c1-3-27-19(25)13-7-5-11(9-15(13)17(21)22)12-6-8-14(20(26)28-4-2)16(10-12)18(23)24/h5-10H,3-4H2,1-2H3,(H,21,22)(H,23,24)