sodium 4-methoxycarbonyl-5,5-dimethyl-cyclohexane-1,3-diolate

Systemtic Name: sodium 4-methoxycarbonyl-5,5-dimethyl-cyclohexane-1,3-diolate Openeye Name: sodium 4-methoxycarbonyl-5,5-dimethyl-cyclohexane-1,3-diolate CAS Name: sodium 4-methoxycarbonyl-5,5-dimethylcyclohexane-1,3-diolate IUPAC Name: sodium 4-methoxycarbonyl-5,5-dimethylcyclohexane-1,3-diolate Traditional Name: sodium 4-carbomethoxy-5,5-dimethyl-cyclohexane-1,3-diolate Formula: C10H16NaO4- MolecularWeight: 223.22141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1C(=O)OC)[O-])[O-])C.[Na+]

Isomeric SMILES

CC1(CC(CC(C1C(=O)OC)[O-])[O-])C.[Na+]

InChI

InChI=1S/C10H16O4.Na/c1-10(2)5-6(11)4-7(12)8(10)9(13)14-3;/h6-8H,4-5H2,1-3H3;/q-2;+1