sodium bis[4-(2-methylheptan-2-yl)phenyl] phosphate

Systemtic Name: sodium bis[4-(2-methylheptan-2-yl)phenyl] phosphate Openeye Name: sodium bis[4-(1,1-dimethylhexyl)phenyl] phosphate CAS Name: sodium bis[4-(2-methylheptan-2-yl)phenyl] phosphate IUPAC Name: sodium bis[4-(2-methylheptan-2-yl)phenyl] phosphate Traditional Name: sodium bis[4-(1,1-dimethylhexyl)phenyl] phosphate Formula: C28H42NaO4P MolecularWeight: 496.594211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43O4P.Na/c1-7-9-11-21-27(3,4)23-13-17-25(18-14-23)31-33(29,30)32-26-19-15-24(16-20-26)28(5,6)22-12-10-8-2;/h13-20H,7-12,21-22H2,1-6H3,(H,29,30);/q;+1/p-1