sodium 9-[2,4-bis(oxidanylidene)chromen-3-yl]-11-oxidanylidene-dodecanoate

Systemtic Name: sodium 9-[2,4-bis(oxidanylidene)chromen-3-yl]-11-oxidanylidene-dodecanoate Openeye Name: sodium 9-(2,4-dioxochroman-3-yl)-11-oxo-dodecanoate CAS Name: sodium 9-(2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-yl)-11-oxododecanoate IUPAC Name: sodium 9-(2,4-dioxochromen-3-yl)-11-oxododecanoate Traditional Name: sodium 9-(2,4-diketochroman-3-yl)-11-keto-laurate Formula: C21H25NaO6 MolecularWeight: 396.40937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCCCCCCC(=O)[O-])C1C(=O)C2=CC=CC=C2OC1=O.[Na+]

Isomeric SMILES

CC(=O)CC(CCCCCCCC(=O)[O-])C1C(=O)C2=CC=CC=C2OC1=O.[Na+]

InChI

InChI=1S/C21H26O6.Na/c1-14(22)13-15(9-5-3-2-4-6-12-18(23)24)19-20(25)16-10-7-8-11-17(16)27-21(19)26;/h7-8,10-11,15,19H,2-6,9,12-13H2,1H3,(H,23,24);/q;+1/p-1