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

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

Systemtic Name:2-[4-(1-adamantyl)-2,6-dinitro-phenoxy]ethanoic acid
Openeye Name:2-[4-(1-adamantyl)-2,6-dinitro-phenoxy]acetic acid
CAS Name:2-[4-(1-adamantyl)-2,6-dinitrophenoxy]acetic acid
IUPAC Name:2-[4-(1-adamantyl)-2,6-dinitrophenoxy]acetic acid
Traditional Name:2-[4-(1-adamantyl)-2,6-dinitro-phenoxy]acetic acid
Formula: C18H20N2O7
MolecularWeight: 376.3606
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H20N2O7/c21-16(22)9-27-17-14(19(23)24)4-13(5-15(17)20(25)26)18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,10-12H,1-3,6-9H2,(H,21,22)


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