sodium [4-[2-(4-acetyloxyphenyl)hexanoyl]phenyl] phenyl phosphate

Systemtic Name: sodium [4-[2-(4-acetyloxyphenyl)hexanoyl]phenyl] phenyl phosphate Openeye Name: sodium [4-[2-(4-acetoxyphenyl)hexanoyl]phenyl] phenyl phosphate CAS Name: sodium [4-[2-(4-acetyloxyphenyl)-1-oxohexyl]phenyl] phenyl phosphate IUPAC Name: sodium [4-[2-(4-acetyloxyphenyl)hexanoyl]phenyl] phenyl phosphate Traditional Name: sodium [4-[2-(4-acetoxyphenyl)hexanoyl]phenyl] phenyl phosphate Formula: C26H26NaO7P MolecularWeight: 504.443971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)OC(=O)C)C(=O)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)OC(=O)C)C(=O)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C26H27O7P.Na/c1-3-4-10-25(20-11-15-22(16-12-20)31-19(2)27)26(28)21-13-17-24(18-14-21)33-34(29,30)32-23-8-6-5-7-9-23;/h5-9,11-18,25H,3-4,10H2,1-2H3,(H,29,30);/q;+1/p-1