sodium [4-(2-cyclohexyl-2-phenyl-ethanoyl)phenyl] phenyl phosphate

Systemtic Name: sodium [4-(2-cyclohexyl-2-phenyl-ethanoyl)phenyl] phenyl phosphate Openeye Name: sodium [4-(2-cyclohexyl-2-phenyl-acetyl)phenyl] phenyl phosphate CAS Name: sodium [4-(2-cyclohexyl-1-oxo-2-phenylethyl)phenyl] phenyl phosphate IUPAC Name: sodium [4-(2-cyclohexyl-2-phenylacetyl)phenyl] phenyl phosphate Traditional Name: sodium [4-(2-cyclohexyl-2-phenyl-acetyl)phenyl] phenyl phosphate Formula: C26H26NaO5P MolecularWeight: 472.445171

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OP(=O)([O-])OC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OP(=O)([O-])OC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C26H27O5P.Na/c27-26(25(20-10-4-1-5-11-20)21-12-6-2-7-13-21)22-16-18-24(19-17-22)31-32(28,29)30-23-14-8-3-9-15-23;/h1,3-5,8-11,14-19,21,25H,2,6-7,12-13H2,(H,28,29);/q;+1/p-1