disodium; zinc; octadecanoate; (E)-octadec-9-enoate

Systemtic Name: disodium; zinc; octadecanoate; (E)-octadec-9-enoate Openeye Name: disodium; zinc; octadecanoate; (E)-octadec-9-enoate CAS Name: disodium; zinc; octadecanoate; (E)-9-octadecenoate IUPAC Name: disodium; zinc; octadecanoate; (E)-octadec-9-enoate Traditional Name: disodium; zinc; (E)-octadec-9-enoate; stearate Formula: C72H136Na2O8Zn MolecularWeight: 1241.23398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+].[Na+].[Zn+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].[Na+].[Na+].[Zn+2]

InChI

InChI=1S/2C18H36O2.2C18H34O2.2Na.Zn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2*2-17H2,1H3,(H,19,20);2*9-10H,2-8,11-17H2,1H3,(H,19,20);;;/q;;;;2*+1;+2/p-4/b;;2*10-9+;;;