2-butoxycarbonyl-3-(2-butoxycarbonyl-3-carboxy-4-chloranyl-phenyl)carbonyl-6-chloranyl-benzoic acid

Systemtic Name: 2-butoxycarbonyl-3-(2-butoxycarbonyl-3-carboxy-4-chloranyl-phenyl)carbonyl-6-chloranyl-benzoic acid Openeye Name: 2-butoxycarbonyl-3-(2-butoxycarbonyl-3-carboxy-4-chloro-benzoyl)-6-chloro-benzoic acid CAS Name: 2-[butoxy(oxo)methyl]-3-[[2-[butoxy(oxo)methyl]-3-carboxy-4-chlorophenyl]-oxomethyl]-6-chlorobenzoic acid IUPAC Name: 2-butoxycarbonyl-3-(2-butoxycarbonyl-3-carboxy-4-chlorobenzoyl)-6-chlorobenzoic acid Traditional Name: 2-butoxycarbonyl-3-(2-butoxycarbonyl-3-carboxy-4-chloro-benzoyl)-6-chloro-benzoic acid Formula: C25H24Cl2O9 MolecularWeight: 539.35866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1C(=O)O)Cl)C(=O)C2=C(C(=C(C=C2)Cl)C(=O)O)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1C(=O)O)Cl)C(=O)C2=C(C(=C(C=C2)Cl)C(=O)O)C(=O)OCCCC

InChI

InChI=1S/C25H24Cl2O9/c1-3-5-11-35-24(33)17-13(7-9-15(26)19(17)22(29)30)21(28)14-8-10-16(27)20(23(31)32)18(14)25(34)36-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,29,30)(H,31,32)