5-(3-carboxylato-4-ethoxycarbonyl-phenyl)carbonyl-2-ethoxycarbonyl-benzoate

Systemtic Name: 5-(3-carboxylato-4-ethoxycarbonyl-phenyl)carbonyl-2-ethoxycarbonyl-benzoate Openeye Name: 5-(3-carboxylato-4-ethoxycarbonyl-benzoyl)-2-ethoxycarbonyl-benzoate CAS Name: 5-[(3-carboxylato-4-ethoxycarbonylphenyl)-oxomethyl]-2-ethoxycarbonylbenzoate IUPAC Name: 5-(3-carboxylato-4-ethoxycarbonylbenzoyl)-2-ethoxycarbonylbenzoate Traditional Name: 2-carbethoxy-5-(4-carbethoxy-3-carboxylato-benzoyl)benzoate Formula: C21H16O9-2 MolecularWeight: 412.34634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)C(=O)OCC)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)C(=O)OCC)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H18O9/c1-3-29-20(27)13-7-5-11(9-15(13)18(23)24)17(22)12-6-8-14(21(28)30-4-2)16(10-12)19(25)26/h5-10H,3-4H2,1-2H3,(H,23,24)(H,25,26)/p-2