octadecanoate; tris(2-hydroxyethyl)-methyl-azanium

Systemtic Name: octadecanoate; tris(2-hydroxyethyl)-methyl-azanium Openeye Name: octadecanoate; tris(2-hydroxyethyl)-methyl-ammonium CAS Name: octadecanoate; tris(2-hydroxyethyl)-methylammonium IUPAC Name: octadecanoate; tris(2-hydroxyethyl)-methylazanium Traditional Name: stearate; tris(2-hydroxyethyl)-methyl-ammonium Formula: C43H88NO7- MolecularWeight: 731.16132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C[N+](CCO)(CCO)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C[N+](CCO)(CCO)CCO

InChI

InChI=1S/2C18H36O2.C7H18NO3/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8(2-5-9,3-6-10)4-7-11/h2*2-17H2,1H3,(H,19,20);9-11H,2-7H2,1H3/q;;+1/p-2