4-(4-carboxy-3-ethoxycarbonyl-phenyl)carbonyl-2-ethoxycarbonyl-benzoic acid octachloride

Systemtic Name: 4-(4-carboxy-3-ethoxycarbonyl-phenyl)carbonyl-2-ethoxycarbonyl-benzoic acid octachloride Openeye Name: 4-(4-carboxy-3-ethoxycarbonyl-benzoyl)-2-ethoxycarbonyl-benzoic acid octachloride CAS Name: 4-[(4-carboxy-3-ethoxycarbonylphenyl)-oxomethyl]-2-ethoxycarbonylbenzoic acid octachloride IUPAC Name: 4-(4-carboxy-3-ethoxycarbonylbenzoyl)-2-ethoxycarbonylbenzoic acid octachloride Traditional Name: 2-carbethoxy-4-(3-carbethoxy-4-carboxy-benzoyl)benzoic acid octachloride Formula: C21H18Cl8O9-8 MolecularWeight: 697.98622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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