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

Systemtic Name: (3-chloranyl-2-dodecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-2-dodecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-chloro-2-dodecoxyphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-2-dodecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-chloro-2-lauryloxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C34H42ClNO5P+ MolecularWeight: 611.127741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C34H41ClNO5P/c1-2-3-4-5-6-7-8-9-10-15-26-39-34-30(35)21-16-24-33(34)41-42(37,38)40-32-23-14-12-19-29(32)27-36-25-17-20-28-18-11-13-22-31(28)36/h11-14,16-25H,2-10,15,26-27H2,1H3/p+1