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

Systemtic Name: sodium (6S)-2,4,4-trimethyl-6-oxidanyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: sodium (6S)-6-hydroxy-2,4,4-trimethyl-3-oxo-cyclohexen-1-olate CAS Name: sodium (6S)-6-hydroxy-2,4,4-trimethyl-3-oxo-1-cyclohexenolate IUPAC Name: sodium (6S)-6-hydroxy-2,4,4-trimethyl-3-oxocyclohexen-1-olate Traditional Name: sodium (6S)-6-hydroxy-3-keto-2,4,4-trimethyl-cyclohexen-1-olate Formula: C9H13NaO3 MolecularWeight: 192.18749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O3.Na/c1-5-7(11)6(10)4-9(2,3)8(5)12;/h6,10-11H,4H2,1-3H3;/q;+1/p-1/t6-;/m0./s1