sodium [4-[3-(4-hydroxyphenyl)propyl]phenyl] phenyl phosphate

Systemtic Name: sodium [4-[3-(4-hydroxyphenyl)propyl]phenyl] phenyl phosphate Openeye Name: sodium [4-[3-(4-hydroxyphenyl)propyl]phenyl] phenyl phosphate CAS Name: sodium [4-[3-(4-hydroxyphenyl)propyl]phenyl] phenyl phosphate IUPAC Name: sodium [4-[3-(4-hydroxyphenyl)propyl]phenyl] phenyl phosphate Traditional Name: sodium [4-[3-(4-hydroxyphenyl)propyl]phenyl] phenyl phosphate Formula: C21H20NaO5P MolecularWeight: 406.344031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCC3=CC=C(C=C3)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCC3=CC=C(C=C3)O.[Na+]

InChI

InChI=1S/C21H21O5P.Na/c22-19-13-9-17(10-14-19)5-4-6-18-11-15-21(16-12-18)26-27(23,24)25-20-7-2-1-3-8-20;/h1-3,7-16,22H,4-6H2,(H,23,24);/q;+1/p-1