1,1-diphenyl-3,4,5,6,7,8-hexahydro-2H-1-benzophosphecin-1-ium; ethanedioate; triphenylphosphanium

Systemtic Name: 1,1-diphenyl-3,4,5,6,7,8-hexahydro-2H-1-benzophosphecin-1-ium; ethanedioate; triphenylphosphanium Openeye Name: 1,1-diphenyl-3,4,5,6,7,8-hexahydro-2H-1-benzophosphecin-1-ium; oxalate; triphenylphosphonium CAS Name: 1,1-diphenyl-3,4,5,6,7,8-hexahydro-2H-1-benzophosphecin-1-ium; oxalate; triphenylphosphonium IUPAC Name: 1,1-diphenyl-3,4,5,6,7,8-hexahydro-2H-1-benzophosphecin-1-ium; oxalate; triphenylphosphanium Traditional Name: 1,1-diphenyl-3,4,5,6,7,8-hexahydro-2H-1-benzophosphecin-1-ium; oxalate; triphenylphosphonium Formula: C45H44O4P2 MolecularWeight: 710.775982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=CC=CC=C2[P+](CCC1)(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

C1CCCC2=CC=CC=C2[P+](CCC1)(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/C25H28P.C18H15P.C2H2O4/c1-2-6-14-22-15-11-12-20-25(22)26(21-13-3-1,23-16-7-4-8-17-23)24-18-9-5-10-19-24;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/h4-5,7-12,15-20H,1-3,6,13-14,21H2;1-15H;(H,3,4)(H,5,6)/q+1;;/p-1