(3-dodecoxy-2-methoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-dodecoxy-2-methoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-dodecoxy-2-methoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-dodecoxy-2-methoxyphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxy-2-methoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-lauryloxy-2-methoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C35H45NO6P+ MolecularWeight: 606.708661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C35H44NO6P/c1-3-4-5-6-7-8-9-10-11-16-27-40-33-24-17-25-34(35(33)39-2)42-43(37,38)41-32-23-15-13-20-30(32)28-36-26-18-21-29-19-12-14-22-31(29)36/h12-15,17-26H,3-11,16,27-28H2,1-2H3/p+1