sodium methyl 4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: sodium methyl 4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: sodium methyl 4,4-dimethyl-2,6-dioxo-cyclohexanecarboxylate CAS Name: sodium 4,4-dimethyl-2,6-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: sodium methyl 4,4-dimethyl-2,6-dioxocyclohexane-1-carboxylate Traditional Name: sodium 2,6-diketo-4,4-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C10H14NaO4+ MolecularWeight: 221.20553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O4.Na/c1-10(2)4-6(11)8(7(12)5-10)9(13)14-3;/h8H,4-5H2,1-3H3;/q;+1