2-(1-adamantylmethoxycarbonyl)-3,4,5,6-tetrakis(chloranyl)benzoic acid

Systemtic Name: 2-(1-adamantylmethoxycarbonyl)-3,4,5,6-tetrakis(chloranyl)benzoic acid Openeye Name: 2-(1-adamantylmethoxycarbonyl)-3,4,5,6-tetrachloro-benzoic acid CAS Name: 2-[1-adamantylmethoxy(oxo)methyl]-3,4,5,6-tetrachlorobenzoic acid IUPAC Name: 2-(1-adamantylmethoxycarbonyl)-3,4,5,6-tetrachlorobenzoic acid Traditional Name: 2-(1-adamantylmethoxycarbonyl)-3,4,5,6-tetrachloro-benzoic acid Formula: C19H18Cl4O4 MolecularWeight: 452.15582

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C19H18Cl4O4/c20-13-11(17(24)25)12(14(21)16(23)15(13)22)18(26)27-7-19-4-8-1-9(5-19)3-10(2-8)6-19/h8-10H,1-7H2,(H,24,25)