1,1-diphenyl-2,3,4,5-tetrahydro-1-benzophosphepin-1-ium; hydrogen carbonate; triphenylphosphanium

Systemtic Name: 1,1-diphenyl-2,3,4,5-tetrahydro-1-benzophosphepin-1-ium; hydrogen carbonate; triphenylphosphanium Openeye Name: 1,1-diphenyl-2,3,4,5-tetrahydro-1-benzophosphepin-1-ium; hydrogen carbonate; triphenylphosphonium CAS Name: 1,1-diphenyl-2,3,4,5-tetrahydro-1-benzophosphepin-1-ium; hydrogen carbonate; triphenylphosphonium IUPAC Name: 1,1-diphenyl-2,3,4,5-tetrahydro-1-benzophosphepin-1-ium; hydrogen carbonate; triphenylphosphanium Traditional Name: 1,1-diphenyl-2,3,4,5-tetrahydro-1-benzophosphepin-1-ium; triphenylphosphonium; dibicarbonate Formula: C42H40O6P2 MolecularWeight: 702.710922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[P+](C2=CC=CC=C2C1)(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

C1CC[P+](C2=CC=CC=C2C1)(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/C22H22P.C18H15P.2CH2O3/c1-3-13-20(14-4-1)23(21-15-5-2-6-16-21)18-10-9-12-19-11-7-8-17-22(19)23;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/h1-8,11,13-17H,9-10,12,18H2;1-15H;2*(H2,2,3,4)/q+1;;;/p-1