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

Systemtic Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-phenyl)benzoic acid octachloride Openeye Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-phenyl)benzoic acid octachloride CAS Name: 2-[butoxy(oxo)methyl]-4-[3-[butoxy(oxo)methyl]-4-carboxyphenyl]benzoic acid octachloride IUPAC Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxyphenyl)benzoic acid octachloride Traditional Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-phenyl)benzoic acid octachloride Formula: C24H26Cl8O8-8 MolecularWeight: 726.08244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)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)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/C24H26O8.8ClH/c1-3-5-11-31-23(29)19-13-15(7-9-17(19)21(25)26)16-8-10-18(22(27)28)20(14-16)24(30)32-12-6-4-2;;;;;;;;/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)(H,27,28);8*1H/p-8