(2,5-ditert-butyl-4-dodecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-lauryloxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C42H59NO5P+ MolecularWeight: 688.895321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H58NO5P/c1-9-10-11-12-13-14-15-16-17-22-29-46-39-30-35(42(5,6)7)40(31-34(39)41(2,3)4)48-49(44,45)47-38-26-21-19-24-33(38)37-28-27-32-23-18-20-25-36(32)43(37)8/h18-21,23-28,30-31H,9-17,22,29H2,1-8H3/p+1