sodium 6-[2-(diethylamino)phenyl]carbonylcyclohexa-1,3-diene-1-carboxylate

Systemtic Name: sodium 6-[2-(diethylamino)phenyl]carbonylcyclohexa-1,3-diene-1-carboxylate Openeye Name: sodium 6-[2-(diethylamino)benzoyl]cyclohexa-1,3-diene-1-carboxylate CAS Name: sodium 6-[[2-(diethylamino)phenyl]-oxomethyl]-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: sodium 6-[2-(diethylamino)benzoyl]cyclohexa-1,3-diene-1-carboxylate Traditional Name: sodium 6-[2-(diethylamino)benzoyl]cyclohexa-1,3-diene-1-carboxylate Formula: C18H20NNaO3 MolecularWeight: 321.34607

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC=C1C(=O)C2CC=CC=C2C(=O)[O-].[Na+]

Isomeric SMILES

CCN(CC)C1=CC=CC=C1C(=O)C2CC=CC=C2C(=O)[O-].[Na+]

InChI

InChI=1S/C18H21NO3.Na/c1-3-19(4-2)16-12-8-7-11-15(16)17(20)13-9-5-6-10-14(13)18(21)22;/h5-8,10-13H,3-4,9H2,1-2H3,(H,21,22);/q;+1/p-1