(3-hexadecoxy-2-methoxy-propyl) [3-[(methylcarbamothioylamino)methyl]phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [3-[(methylcarbamothioylamino)methyl]phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [3-[(methylcarbamothioylamino)methyl]phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [3-[[[methylamino(sulfanylidene)methyl]amino]methyl]phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [3-[(methylcarbamothioylamino)methyl]phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [3-[(methylthiocarbamoylamino)methyl]phenyl] hydrogen phosphate Formula: C29H53N2O6PS MolecularWeight: 588.779681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CNC(=S)NC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CNC(=S)NC)OC

InChI

InChI=1S/C29H53N2O6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-35-24-28(34-3)25-36-38(32,33)37-27-20-18-19-26(22-27)23-31-29(39)30-2/h18-20,22,28H,4-17,21,23-25H2,1-3H3,(H,32,33)(H2,30,31,39)