sodium (4-ethoxy-4-oxidanylidene-butan-2-yl)-(4-phenylphenyl)-(2-sulfobenzene-3-id-1-yl)phosphanium iodide

Systemtic Name: sodium (4-ethoxy-4-oxidanylidene-butan-2-yl)-(4-phenylphenyl)-(2-sulfobenzene-3-id-1-yl)phosphanium iodide Openeye Name: sodium (3-ethoxy-1-methyl-3-oxo-propyl)-(4-phenylphenyl)-(2-sulfobenzene-3-id-1-yl)phosphonium iodide CAS Name: sodium (4-ethoxy-4-oxobutan-2-yl)-(4-phenylphenyl)-(2-sulfo-1-benzene-3-idyl)phosphonium iodide IUPAC Name: sodium (4-ethoxy-4-oxobutan-2-yl)-(4-phenylphenyl)-(2-sulfobenzene-3-id-1-yl)phosphanium iodide Traditional Name: sodium (3-ethoxy-3-keto-1-methyl-propyl)-(4-phenylphenyl)-(2-sulfobenzene-3-id-1-yl)phosphonium iodide Formula: C24H25INaO5PS MolecularWeight: 606.385301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)[PH+](C1=CC=C(C=C1)C2=CC=CC=C2)C3=C([C-]=CC=C3)S(=O)(=O)O.[Na+].[I-]

Isomeric SMILES

CCOC(=O)CC(C)[PH+](C1=CC=C(C=C1)C2=CC=CC=C2)C3=C([C-]=CC=C3)S(=O)(=O)O.[Na+].[I-]

InChI

InChI=1S/C24H24O5PS.HI.Na/c1-3-29-24(25)17-18(2)30(22-11-7-8-12-23(22)31(26,27)28)21-15-13-20(14-16-21)19-9-5-4-6-10-19;;/h4-11,13-16,18H,3,17H2,1-2H3,(H,26,27,28);1H;/q-1;;+1