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

Systemtic Name: sodium phenyl [4-[2-(phenylcarbonyl)hexanoyl]phenyl] phosphate Openeye Name: sodium [4-(2-benzoylhexanoyl)phenyl] phenyl phosphate CAS Name: sodium [4-(2-benzoyl-1-oxohexyl)phenyl] phenyl phosphate IUPAC Name: sodium [4-(2-benzoylhexanoyl)phenyl] phenyl phosphate Traditional Name: sodium [4-(2-benzoylhexanoyl)phenyl] phenyl phosphate Formula: C25H24NaO6P MolecularWeight: 474.417991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25O6P.Na/c1-2-3-14-23(24(26)19-10-6-4-7-11-19)25(27)20-15-17-22(18-16-20)31-32(28,29)30-21-12-8-5-9-13-21;/h4-13,15-18,23H,2-3,14H2,1H3,(H,28,29);/q;+1/p-1