chloranylruthenium(1+); [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; 1-methyl-4-propan-2-yl-benzene

Systemtic Name: chloranylruthenium(1+); [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; 1-methyl-4-propan-2-yl-benzene Openeye Name: chlororuthenium(1+); [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane; 1-isopropyl-4-methyl-benzene CAS Name: chlororuthenium(1+); [1-(2-diphenylphosphino-1-naphthalenyl)-2-naphthalenyl]-diphenylphosphine; 1-methyl-4-propan-2-ylbenzene IUPAC Name: chlororuthenium(1+); [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane; 1-methyl-4-propan-2-ylbenzene Traditional Name: chlororuthenium(1+); [1-(2-diphenylphosphino-1-naphthyl)-2-naphthyl]-diphenyl-phosphine; p-cymene Formula: C54H46ClP2Ru+ MolecularWeight: 893.413562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.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

CC1=CC=C(C=C1)C(C)C.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.C10H14.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;1-8(2)10-6-4-9(3)5-7-10;;/h1-32H;4-8H,1-3H3;1H;/q;;;+2/p-1