sodium [4-[3-[4-(diethylamino)phenyl]propanoyl]phenyl] phenyl phosphate

Systemtic Name: sodium [4-[3-[4-(diethylamino)phenyl]propanoyl]phenyl] phenyl phosphate Openeye Name: sodium [4-[3-[4-(diethylamino)phenyl]propanoyl]phenyl] phenyl phosphate CAS Name: sodium [4-[3-[4-(diethylamino)phenyl]-1-oxopropyl]phenyl] phenyl phosphate IUPAC Name: sodium [4-[3-[4-(diethylamino)phenyl]propanoyl]phenyl] phenyl phosphate Traditional Name: sodium [4-[3-[4-(diethylamino)phenyl]propanoyl]phenyl] phenyl phosphate Formula: C25H27NNaO5P MolecularWeight: 475.449111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28NO5P.Na/c1-3-26(4-2)22-15-10-20(11-16-22)12-19-25(27)21-13-17-24(18-14-21)31-32(28,29)30-23-8-6-5-7-9-23;/h5-11,13-18H,3-4,12,19H2,1-2H3,(H,28,29);/q;+1/p-1