2-dimethylaminoethyl 3-[18-(4-iodophenyl)octadecoxy]propyl hydrogen phosphate

Systemtic Name: 2-dimethylaminoethyl 3-[18-(4-iodophenyl)octadecoxy]propyl hydrogen phosphate Openeye Name: 2-dimethylaminoethyl 3-[18-(4-iodophenyl)octadecoxy]propyl hydrogen phosphate CAS Name: 2-dimethylaminoethyl 3-[18-(4-iodophenyl)octadecoxy]propyl hydrogen phosphate IUPAC Name: 2-dimethylaminoethyl 3-[18-(4-iodophenyl)octadecoxy]propyl hydrogen phosphate Traditional Name: 2-dimethylaminoethyl 3-[18-(4-iodophenyl)octadecoxy]propyl hydrogen phosphate Formula: C31H57INO5P MolecularWeight: 681.666211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOP(=O)(O)OCCCOCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)I

Isomeric SMILES

CN(C)CCOP(=O)(O)OCCCOCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)I

InChI

InChI=1S/C31H57INO5P/c1-33(2)25-29-38-39(34,35)37-28-19-27-36-26-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-30-21-23-31(32)24-22-30/h21-24H,3-20,25-29H2,1-2H3,(H,34,35)