sodium 2,4,4-trimethyl-3,6-bis(oxidanylidene)cyclohexen-1-olate

Systemtic Name: sodium 2,4,4-trimethyl-3,6-bis(oxidanylidene)cyclohexen-1-olate Openeye Name: sodium 2,4,4-trimethyl-3,6-dioxo-cyclohexen-1-olate CAS Name: sodium 2,4,4-trimethyl-3,6-dioxo-1-cyclohexenolate IUPAC Name: sodium 2,4,4-trimethyl-3,6-dioxocyclohexen-1-olate Traditional Name: sodium 3,6-diketo-2,4,4-trimethyl-cyclohexen-1-olate Formula: C9H11NaO3 MolecularWeight: 190.17161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC(C1=O)(C)C)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)CC(C1=O)(C)C)[O-].[Na+]

InChI

InChI=1S/C9H12O3.Na/c1-5-7(11)6(10)4-9(2,3)8(5)12;/h11H,4H2,1-3H3;/q;+1/p-1