sodium 4-methyl-6-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexanoate

Systemtic Name: sodium 4-methyl-6-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexanoate Openeye Name: sodium 4-methyl-6-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)hexanoate CAS Name: sodium 4-methyl-6-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)hexanoate IUPAC Name: sodium 4-methyl-6-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanoate Traditional Name: sodium 6-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-4-methyl-hexanoate Formula: C16H21NaO4 MolecularWeight: 300.32531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4.Na/c1-9(6-8-14(17)18)5-7-13-12(4)15(19)10(2)11(3)16(13)20;/h9H,5-8H2,1-4H3,(H,17,18);/q;+1/p-1