heptatriacontan-19-ylazanium; (E)-octadec-9-enoate

Systemtic Name: heptatriacontan-19-ylazanium; (E)-octadec-9-enoate Openeye Name: (E)-octadec-9-enoate; 1-octadecylnonadecylammonium CAS Name: heptatriacontan-19-ylammonium; (E)-9-octadecenoate IUPAC Name: heptatriacontan-19-ylazanium; (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoate; 1-stearylnonadecylammonium Formula: C55H111NO2 MolecularWeight: 818.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH3+].CCCCCCCCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH3+].CCCCCCCC/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C37H77N.C18H34O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h37H,3-36,38H2,1-2H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b;10-9+