10-[1,4-diethoxy-2,3-bis(iodanyl)-1,4-bis(oxidanylidene)-3-triphenylphosphaniumyl-butan-2-yl]phenanthren-9-olate

Systemtic Name: 10-[1,4-diethoxy-2,3-bis(iodanyl)-1,4-bis(oxidanylidene)-3-triphenylphosphaniumyl-butan-2-yl]phenanthren-9-olate Openeye Name: 10-(3-ethoxy-1-ethoxycarbonyl-1,2-diiodo-3-oxo-2-triphenylphosphaniumyl-propyl)phenanthren-9-olate CAS Name: 10-(1,4-diethoxy-2,3-diiodo-1,4-dioxo-3-triphenylphosphiniumylbutan-2-yl)-9-phenanthrenolate IUPAC Name: 10-(1,4-diethoxy-2,3-diiodo-1,4-dioxo-3-triphenylphosphaniumylbutan-2-yl)phenanthren-9-olate Traditional Name: 10-(1-carbethoxy-3-ethoxy-1,2-diiodo-3-keto-2-triphenylphosphiniumyl-propyl)phenanthren-9-olate Formula: C40H33I2O5P MolecularWeight: 878.469721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C2=CC=CC=C2C3=CC=CC=C31)[O-])(C(C(=O)OCC)([P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)I)I

Isomeric SMILES

CCOC(=O)C(C1=C(C2=CC=CC=C2C3=CC=CC=C31)[O-])(C(C(=O)OCC)([P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)I)I

InChI

InChI=1S/C40H33I2O5P/c1-3-46-37(44)39(41,35-33-26-16-14-24-31(33)32-25-15-17-27-34(32)36(35)43)40(42,38(45)47-4-2)48(28-18-8-5-9-19-28,29-20-10-6-11-21-29)30-22-12-7-13-23-30/h5-27H,3-4H2,1-2H3