sodium 2-methyl-2-[(Z)-12-oxidanyloctadec-9-enoyl]oxy-propanoate

Systemtic Name: sodium 2-methyl-2-[(Z)-12-oxidanyloctadec-9-enoyl]oxy-propanoate Openeye Name: sodium 2-[(Z)-12-hydroxyoctadec-9-enoyl]oxy-2-methyl-propanoate CAS Name: sodium 2-[(Z)-12-hydroxy-1-oxooctadec-9-enoxy]-2-methylpropanoate IUPAC Name: sodium 2-[(Z)-12-hydroxyoctadec-9-enoyl]oxy-2-methylpropanoate Traditional Name: sodium 2-[(Z)-12-hydroxyoctadec-9-enoyl]oxy-2-methyl-propionate Formula: C22H39NaO5 MolecularWeight: 406.53183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC(C)(C)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCC(C/C=C\CCCCCCCC(=O)OC(C)(C)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C22H40O5.Na/c1-4-5-6-13-16-19(23)17-14-11-9-7-8-10-12-15-18-20(24)27-22(2,3)21(25)26;/h11,14,19,23H,4-10,12-13,15-18H2,1-3H3,(H,25,26);/q;+1/p-1/b14-11-;