(2-chloranyl-4-tetradecoxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-chloranyl-4-tetradecoxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-chloro-4-tetradecoxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-chloro-4-tetradecoxyphenyl) [3-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-chloro-4-tetradecoxyphenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-chloro-4-myristyloxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C32H44ClNO5P+ MolecularWeight: 589.122221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3)Cl

InChI

InChI=1S/C32H43ClNO5P/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-37-29-20-21-32(31(33)26-29)39-40(35,36)38-30-19-17-18-28(25-30)27-34-22-14-13-15-23-34/h13-15,17-23,25-26H,2-12,16,24,27H2,1H3/p+1