barium(2+); 2-[(Z)-octadec-9-enoyl]oxypropanoate

Systemtic Name: barium(2+); 2-[(Z)-octadec-9-enoyl]oxypropanoate Openeye Name: barium(2+); 2-[(Z)-octadec-9-enoyl]oxypropanoate CAS Name: barium(2+); 2-[(Z)-1-oxooctadec-9-enoxy]propanoate IUPAC Name: barium(2+); 2-[(Z)-octadec-9-enoyl]oxypropanoate Traditional Name: barium(2+); 2-[(Z)-octadec-9-enoyl]oxypropionate Formula: C42H74BaO8 MolecularWeight: 844.35916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)C(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)OC(C)C(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC(C(=O)[O-])C.CCCCCCCC/C=C\CCCCCCCC(=O)OC(C(=O)[O-])C.[Ba+2]

InChI

InChI=1S/2C21H38O4.Ba/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h2*10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);/q;;+2/p-2/b2*11-10-;