sodium (4-butylphenyl) [4-(3-oxidanylidene-3-phenyl-propyl)phenyl] phosphate

Systemtic Name: sodium (4-butylphenyl) [4-(3-oxidanylidene-3-phenyl-propyl)phenyl] phosphate Openeye Name: sodium (4-butylphenyl) [4-(3-oxo-3-phenyl-propyl)phenyl] phosphate CAS Name: sodium (4-butylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] phosphate IUPAC Name: sodium (4-butylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] phosphate Traditional Name: sodium (4-butylphenyl) [4-(3-keto-3-phenyl-propyl)phenyl] phosphate Formula: C25H26NaO5P MolecularWeight: 460.434471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCC(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCC(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C25H27O5P.Na/c1-2-3-7-20-10-15-23(16-11-20)29-31(27,28)30-24-17-12-21(13-18-24)14-19-25(26)22-8-5-4-6-9-22;/h4-6,8-13,15-18H,2-3,7,14,19H2,1H3,(H,27,28);/q;+1/p-1