chloranylruthenium; 2-diphenylphosphanylethanamine; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane

Systemtic Name: chloranylruthenium; 2-diphenylphosphanylethanamine; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane Openeye Name: chlororuthenium; 2-diphenylphosphanylethanamine; [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane CAS Name: chlororuthenium; 2-diphenylphosphinoethanamine; [1-(2-diphenylphosphino-1-naphthalenyl)-2-naphthalenyl]-diphenylphosphine IUPAC Name: chlororuthenium; 2-diphenylphosphanylethanamine; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane Traditional Name: chlororuthenium; 2-diphenylphosphinoethylamine; [1-(2-diphenylphosphino-1-naphthyl)-2-naphthyl]-diphenyl-phosphine Formula: C58H48ClNP3Ru MolecularWeight: 988.452703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CCN)C2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]

Isomeric SMILES

C1=CC=C(C=C1)P(CCN)C2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]

InChI

InChI=1S/C44H32P2.C14H16NP.ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;;/h1-32H;1-10H,11-12,15H2;1H;/q;;;+1/p-1