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

Systemtic Name: (3-chloranyl-2-hexadecoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-2-hexadecoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-chloro-2-hexadecoxyphenyl) [3-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-2-hexadecoxyphenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-cetyloxy-3-chloro-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C38H50ClNO5P+ MolecularWeight: 667.234061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C38H49ClNO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-29-43-38-35(39)25-19-27-37(38)45-46(41,42)44-34-24-18-21-32(30-34)31-40-28-20-23-33-22-15-16-26-36(33)40/h15-16,18-28,30H,2-14,17,29,31H2,1H3/p+1