(3-hexadecoxy-2-methoxy-propyl) [3-(imidazol-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [3-(imidazol-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [3-(imidazol-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [3-(1-imidazolylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [3-(imidazol-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [3-(imidazol-1-ylmethyl)phenyl] hydrogen phosphate Formula: C30H51N2O6P MolecularWeight: 566.709501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CN2C=CN=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CN2C=CN=C2)OC

InChI

InChI=1S/C30H51N2O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-36-25-30(35-2)26-37-39(33,34)38-29-19-17-18-28(23-29)24-32-21-20-31-27-32/h17-21,23,27,30H,3-16,22,24-26H2,1-2H3,(H,33,34)