(3-chloranyl-4-dodecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-chloranyl-4-dodecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-4-dodecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-chloro-4-dodecoxyphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-4-dodecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-chloro-4-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=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

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

InChI

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