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

Systemtic Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-phenyl)carbonyl-benzoic acid octachloride Openeye Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-benzoyl)benzoic acid octachloride CAS Name: 2-[butoxy(oxo)methyl]-4-[[3-[butoxy(oxo)methyl]-4-carboxyphenyl]-oxomethyl]benzoic acid octachloride IUPAC Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxybenzoyl)benzoic acid octachloride Traditional Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-benzoyl)benzoic acid octachloride Formula: C25H26Cl8O9-8 MolecularWeight: 754.09254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCCCC)C(=O)O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCCCC)C(=O)O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C25H26O9.8ClH/c1-3-5-11-33-24(31)19-13-15(7-9-17(19)22(27)28)21(26)16-8-10-18(23(29)30)20(14-16)25(32)34-12-6-4-2;;;;;;;;/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,27,28)(H,29,30);8*1H/p-8