(4-hexadecoxy-2-nitro-phenyl) dihydrogen phosphate

Systemtic Name: (4-hexadecoxy-2-nitro-phenyl) dihydrogen phosphate Openeye Name: (4-hexadecoxy-2-nitro-phenyl) dihydrogen phosphate CAS Name: (4-hexadecoxy-2-nitrophenyl) dihydrogen phosphate IUPAC Name: (4-hexadecoxy-2-nitrophenyl) dihydrogen phosphate Traditional Name: (4-cetyloxy-2-nitro-phenyl) dihydrogen phosphate Formula: C22H38NO7P MolecularWeight: 459.513381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-20-16-17-22(30-31(26,27)28)21(19-20)23(24)25/h16-17,19H,2-15,18H2,1H3,(H2,26,27,28)