disodium 4-[(E)-hexadec-2-enoxy]-4-oxidanylidene-butanoate

Systemtic Name: disodium 4-[(E)-hexadec-2-enoxy]-4-oxidanylidene-butanoate Openeye Name: disodium 4-[(E)-hexadec-2-enoxy]-4-oxo-butanoate CAS Name: disodium 4-[(E)-hexadec-2-enoxy]-4-oxobutanoate IUPAC Name: disodium 4-[(E)-hexadec-2-enoxy]-4-oxobutanoate Traditional Name: disodium 4-[(E)-hexadec-2-enoxy]-4-keto-butyrate Formula: C20H35Na2O4+ MolecularWeight: 385.46904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCOC(=O)CCC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC/C=C/COC(=O)CCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H36O4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;;/h14-15H,2-13,16-18H2,1H3,(H,21,22);;/q;2*+1/p-1/b15-14+;;