4-[4-(1-adamantyl)-2,6-dinitro-phenoxy]butanoic acid

Systemtic Name: 4-[4-(1-adamantyl)-2,6-dinitro-phenoxy]butanoic acid Openeye Name: 4-[4-(1-adamantyl)-2,6-dinitro-phenoxy]butanoic acid CAS Name: 4-[4-(1-adamantyl)-2,6-dinitrophenoxy]butanoic acid IUPAC Name: 4-[4-(1-adamantyl)-2,6-dinitrophenoxy]butanoic acid Traditional Name: 4-[4-(1-adamantyl)-2,6-dinitro-phenoxy]butyric acid Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)[N+](=O)[O-])OCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)[N+](=O)[O-])OCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O7/c23-18(24)2-1-3-29-19-16(21(25)26)7-15(8-17(19)22(27)28)20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14H,1-6,9-11H2,(H,23,24)