sodium (E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: sodium (E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-en-1-olate Openeye Name: sodium (E)-3-(1-adamantyl)-3-oxo-prop-1-en-1-olate CAS Name: sodium (E)-3-(1-adamantyl)-3-oxo-1-propen-1-olate IUPAC Name: sodium (E)-3-(1-adamantyl)-3-oxoprop-1-en-1-olate Traditional Name: sodium (E)-3-(1-adamantyl)-3-keto-prop-1-en-1-olate Formula: C13H17NaO2 MolecularWeight: 228.26265

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C=C[O-].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)/C=C/[O-].[Na+]

InChI

InChI=1S/C13H18O2.Na/c14-2-1-12(15)13-6-9-3-10(7-13)5-11(4-9)8-13;/h1-2,9-11,14H,3-8H2;/q;+1/p-1/b2-1+;