1-isocyanatooctadecan-1-one phosphate

Systemtic Name: 1-isocyanatooctadecan-1-one phosphate Openeye Name: octadecanoyl isocyanate phosphate CAS Name: 1-isocyanato-1-octadecanone phosphate IUPAC Name: octadecanoyl isocyanate phosphate Traditional Name: 1-isocyanatooctadecan-1-one phosphate Formula: C19H35NO6P-3 MolecularWeight: 404.458061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N=C=O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N=C=O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C19H35NO2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21;1-5(2,3)4/h2-17H2,1H3;(H3,1,2,3,4)/p-3