(3-chloranyl-4-dodecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (3-chloranyl-4-dodecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-4-dodecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-chloro-4-dodecoxyphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-4-dodecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-chloro-4-lauryloxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)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=C2C3=[N+](C4=CC=CC=C4C=C3)C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)Cl

InChI

InChI=1S/C34H41ClNO5P/c1-3-4-5-6-7-8-9-10-11-16-25-39-34-24-22-28(26-30(34)35)40-42(37,38)41-33-20-15-13-18-29(33)32-23-21-27-17-12-14-19-31(27)36(32)2/h12-15,17-24,26H,3-11,16,25H2,1-2H3/p+1