2-(1-adamantyl)-3-oxidanyl-3-oxidanylidene-propanoate; 1-(3-bicyclo[2.2.1]heptanyl)ethylazanium

Systemtic Name: 2-(1-adamantyl)-3-oxidanyl-3-oxidanylidene-propanoate; 1-(3-bicyclo[2.2.1]heptanyl)ethylazanium Openeye Name: 2-(1-adamantyl)-3-hydroxy-3-oxo-propanoate; 1-norbornan-2-ylethylammonium CAS Name: 2-(1-adamantyl)-3-hydroxy-3-oxopropanoate; 1-(3-bicyclo[2.2.1]heptanyl)ethylammonium IUPAC Name: 2-(1-adamantyl)-3-hydroxy-3-oxopropanoate; 1-(3-bicyclo[2.2.1]heptanyl)ethylazanium Traditional Name: 2-(1-adamantyl)-3-hydroxy-3-keto-propionate; 1-(2-norbornyl)ethylammonium Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC2CCC1C2)[NH3+].C1C2CC3CC1CC(C2)(C3)C(C(=O)O)C(=O)[O-]

Isomeric SMILES

CC(C1CC2CCC1C2)[NH3+].C1C2CC3CC1CC(C2)(C3)C(C(=O)O)C(=O)[O-]

InChI

InChI=1S/C13H18O4.C9H17N/c14-11(15)10(12(16)17)13-4-7-1-8(5-13)3-9(2-7)6-13;1-6(10)9-5-7-2-3-8(9)4-7/h7-10H,1-6H2,(H,14,15)(H,16,17);6-9H,2-5,10H2,1H3