(1-azanyl-3-diphenylphosphanyl-propan-2-yl)-(diphenylphosphanylmethyl)-diethyl-azanium; ethanesulfonate

Systemtic Name: (1-azanyl-3-diphenylphosphanyl-propan-2-yl)-(diphenylphosphanylmethyl)-diethyl-azanium; ethanesulfonate Openeye Name: [1-(aminomethyl)-2-diphenylphosphanyl-ethyl]-(diphenylphosphanylmethyl)-diethyl-ammonium; ethanesulfonate CAS Name: (1-amino-3-diphenylphosphinopropan-2-yl)-(diphenylphosphinomethyl)-diethylammonium; ethanesulfonate IUPAC Name: (1-amino-3-diphenylphosphanylpropan-2-yl)-(diphenylphosphanylmethyl)-diethylazanium; ethanesulfonate Traditional Name: [1-(aminomethyl)-2-diphenylphosphino-ethyl]-(diphenylphosphinomethyl)-diethyl-ammonium esylate Formula: C34H44N2O3P2S MolecularWeight: 622.737282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CP(C1=CC=CC=C1)C2=CC=CC=C2)C(CN)CP(C3=CC=CC=C3)C4=CC=CC=C4.CCS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CP(C1=CC=CC=C1)C2=CC=CC=C2)C(CN)CP(C3=CC=CC=C3)C4=CC=CC=C4.CCS(=O)(=O)[O-]

InChI

InChI=1S/C32H39N2P2.C2H6O3S/c1-3-34(4-2,27-36(31-21-13-7-14-22-31)32-23-15-8-16-24-32)28(25-33)26-35(29-17-9-5-10-18-29)30-19-11-6-12-20-30;1-2-6(3,4)5/h5-24,28H,3-4,25-27,33H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1