1,1-diphenyl-2,3,4,5,6,7-hexahydro-1-benzophosphonin-1-ium; ethanedioate; triphenylphosphanium

Systemtic Name: 1,1-diphenyl-2,3,4,5,6,7-hexahydro-1-benzophosphonin-1-ium; ethanedioate; triphenylphosphanium Openeye Name: 1,1-diphenyl-2,3,4,5,6,7-hexahydro-1-benzophosphonin-1-ium; oxalate; triphenylphosphonium CAS Name: 1,1-diphenyl-2,3,4,5,6,7-hexahydro-1-benzophosphonin-1-ium; oxalate; triphenylphosphonium IUPAC Name: 1,1-diphenyl-2,3,4,5,6,7-hexahydro-1-benzophosphonin-1-ium; oxalate; triphenylphosphanium Traditional Name: 1,1-diphenyl-2,3,4,5,6,7-hexahydro-1-benzophosphonin-1-ium; oxalate; triphenylphosphonium Formula: C44H42O4P2 MolecularWeight: 696.749402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[P+](C2=CC=CC=C2CC1)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CCC[P+](C2=CC=CC=C2CC1)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C24H26P.C18H15P.C2H2O4/c1-2-12-20-25(22-15-6-3-7-16-22,23-17-8-4-9-18-23)24-19-11-10-14-21(24)13-5-1;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1(4)2(5)6/h3-4,6-11,14-19H,1-2,5,12-13,20H2;1-15H;(H,3,4)(H,5,6)/q+1;;/p-1