sodium phenyl [4-(3-phenylpropyl)phenyl] phosphate

Systemtic Name: sodium phenyl [4-(3-phenylpropyl)phenyl] phosphate Openeye Name: sodium phenyl [4-(3-phenylpropyl)phenyl] phosphate CAS Name: sodium phenyl [4-(3-phenylpropyl)phenyl] phosphate IUPAC Name: sodium phenyl [4-(3-phenylpropyl)phenyl] phosphate Traditional Name: sodium phenyl [4-(3-phenylpropyl)phenyl] phosphate Formula: C21H20NaO4P MolecularWeight: 390.344631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H21O4P.Na/c22-26(23,24-20-12-5-2-6-13-20)25-21-16-14-19(15-17-21)11-7-10-18-8-3-1-4-9-18;/h1-6,8-9,12-17H,7,10-11H2,(H,22,23);/q;+1/p-1