carbon monoxide; chloranylruthenium; [8-(diphenylphosphanylmethyl)naphthalen-1-yl]methyl-diphenyl-phosphane; triphenylphosphane

Systemtic Name: carbon monoxide; chloranylruthenium; [8-(diphenylphosphanylmethyl)naphthalen-1-yl]methyl-diphenyl-phosphane; triphenylphosphane Openeye Name: carbon monoxide; chlororuthenium; [8-(diphenylphosphanylmethyl)-1-naphthyl]methyl-diphenyl-phosphane; triphenylphosphane CAS Name: carbon monoxide; chlororuthenium; [8-(diphenylphosphinomethyl)-1-naphthalenyl]methyl-diphenylphosphine; triphenylphosphine IUPAC Name: carbon monoxide; chlororuthenium; [8-(diphenylphosphanylmethyl)naphthalen-1-yl]methyl-diphenylphosphane; triphenylphosphane Traditional Name: carbon monoxide; chlororuthenium; [8-(diphenylphosphinomethyl)-1-naphthyl]methyl-diphenyl-phosphine; triphenylphosphine Formula: C55H45ClOP3Ru MolecularWeight: 951.389483

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].C1=CC=C(C=C1)P(CC2=CC=CC3=C2C(=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]

Isomeric SMILES

[C-]#[O+].C1=CC=C(C=C1)P(CC2=CC=CC3=C2C(=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]

InChI

InChI=1S/C36H30P2.C18H15P.CO.ClH.Ru/c1-5-19-32(20-6-1)37(33-21-7-2-8-22-33)27-30-17-13-15-29-16-14-18-31(36(29)30)28-38(34-23-9-3-10-24-34)35-25-11-4-12-26-35;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h1-26H,27-28H2;1-15H;;1H;/q;;;;+1/p-1