3-(3-octadecoxy-5-phenylmethoxycarbonyl-phenoxy)propylphosphonic acid

Systemtic Name: 3-(3-octadecoxy-5-phenylmethoxycarbonyl-phenoxy)propylphosphonic acid Openeye Name: 3-(3-benzyloxycarbonyl-5-octadecoxy-phenoxy)propylphosphonic acid CAS Name: 3-(3-octadecoxy-5-phenylmethoxycarbonylphenoxy)propylphosphonic acid IUPAC Name: 3-(3-octadecoxy-5-phenylmethoxycarbonylphenoxy)propylphosphonic acid Traditional Name: 3-(3-carbobenzoxy-5-stearyloxy-phenoxy)propylphosphonic acid Formula: C35H55O7P MolecularWeight: 618.780761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)OCC2=CC=CC=C2)OCCCP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)OCC2=CC=CC=C2)OCCCP(=O)(O)O

InChI

InChI=1S/C35H55O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-40-33-27-32(35(36)42-30-31-22-18-17-19-23-31)28-34(29-33)41-25-21-26-43(37,38)39/h17-19,22-23,27-29H,2-16,20-21,24-26,30H2,1H3,(H2,37,38,39)