(3-hexadecoxyphenyl) [2-(1-methyl-1,2,3-triazol-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxyphenyl) [2-(1-methyl-1,2,3-triazol-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxyphenyl) [2-(1-methyltriazol-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxyphenyl) [2-(1-methyl-2-triazol-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxyphenyl) [2-(1-methyltriazol-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxyphenyl) [2-(1-methyltriazol-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C31H47N3O5P+ MolecularWeight: 572.695741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2N3N=CC=[N+]3C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2N3N=CC=[N+]3C

InChI

InChI=1S/C31H46N3O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-37-28-20-19-21-29(27-28)38-40(35,36)39-31-23-17-16-22-30(31)34-32-24-25-33(34)2/h16-17,19-25,27H,3-15,18,26H2,1-2H3/p+1