1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; hydrogen carbonate; triphenylphosphanium

Systemtic Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; hydrogen carbonate; triphenylphosphanium Openeye Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; hydrogen carbonate; triphenylphosphonium CAS Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; hydrogen carbonate; triphenylphosphonium IUPAC Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; hydrogen carbonate; triphenylphosphanium Traditional Name: 1,1-diphenyl-3,4,5,6-tetrahydro-2H-1-benzophosphocin-1-ium; triphenylphosphonium; dibicarbonate Formula: C43H42O6P2 MolecularWeight: 716.737502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CC=CC=C2[P+](CC1)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(O)[O-].C(=O)(O)[O-]

Isomeric SMILES

C1CCC2=CC=CC=C2[P+](CC1)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(O)[O-].C(=O)(O)[O-]

InChI

InChI=1S/C23H24P.C18H15P.2CH2O3/c1-5-14-21(15-6-1)24(22-16-7-2-8-17-22)19-11-3-4-12-20-13-9-10-18-23(20)24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1(3)4/h1-2,5-10,13-18H,3-4,11-12,19H2;1-15H;2*(H2,2,3,4)/q+1;;;/p-1