dihydrogen phosphate; triphenyl(6-triphenylphosphaniumylhexyl)phosphanium

Systemtic Name: dihydrogen phosphate; triphenyl(6-triphenylphosphaniumylhexyl)phosphanium Openeye Name: dihydrogen phosphate; triphenyl(6-triphenylphosphaniumylhexyl)phosphonium CAS Name: dihydrogen phosphate; triphenyl(6-triphenylphosphiniumylhexyl)phosphonium IUPAC Name: dihydrogen phosphate; triphenyl(6-triphenylphosphaniumylhexyl)phosphanium Traditional Name: dihydrogen phosphate; triphenyl(6-triphenylphosphiniumylhexyl)phosphonium Formula: C42H46O8P4 MolecularWeight: 802.704884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.OP(=O)(O)[O-].OP(=O)(O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.OP(=O)(O)[O-].OP(=O)(O)[O-]

InChI

InChI=1S/C42H42P2.2H3O4P/c1(21-35-43(37-23-9-3-10-24-37,38-25-11-4-12-26-38)39-27-13-5-14-28-39)2-22-36-44(40-29-15-6-16-30-40,41-31-17-7-18-32-41)42-33-19-8-20-34-42;2*1-5(2,3)4/h3-20,23-34H,1-2,21-22,35-36H2;2*(H3,1,2,3,4)/q+2;;/p-2