2,2-dimethylpropanoate; 9-octylheptadecan-9-ylazanium

Systemtic Name: 2,2-dimethylpropanoate; 9-octylheptadecan-9-ylazanium Openeye Name: 2,2-dimethylpropanoate; 1,1-dioctylnonylammonium CAS Name: 2,2-dimethylpropanoate; 9-octylheptadecan-9-ylammonium IUPAC Name: 2,2-dimethylpropanoate; 9-octylheptadecan-9-ylazanium Traditional Name: 2,2-dimethylpropionate; 1,1-dioctylnonylammonium Formula: C30H63NO2 MolecularWeight: 469.82672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[NH3+].CC(C)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[NH3+].CC(C)(C)C(=O)[O-]

InChI

InChI=1S/C25H53N.C5H10O2/c1-4-7-10-13-16-19-22-25(26,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-5(2,3)4(6)7/h4-24,26H2,1-3H3;1-3H3,(H,6,7)