[4-(4-diphenylphosphanyl-2,5-dimethyl-thiophen-3-yl)-2-methyl-5-phenyl-thiophen-3-yl]-diphenyl-phosphane; iodanylruthenium(1+); 1-methyl-4-propan-2-yl-benzene

Systemtic Name: [4-(4-diphenylphosphanyl-2,5-dimethyl-thiophen-3-yl)-2-methyl-5-phenyl-thiophen-3-yl]-diphenyl-phosphane; iodanylruthenium(1+); 1-methyl-4-propan-2-yl-benzene Openeye Name: [4-(4-diphenylphosphanyl-2,5-dimethyl-3-thienyl)-2-methyl-5-phenyl-3-thienyl]-diphenyl-phosphane; iodoruthenium(1+); 1-isopropyl-4-methyl-benzene CAS Name: [4-(4-diphenylphosphino-2,5-dimethyl-3-thiophenyl)-2-methyl-5-phenyl-3-thiophenyl]-diphenylphosphine; iodoruthenium(1+); 1-methyl-4-propan-2-ylbenzene IUPAC Name: [4-(4-diphenylphosphanyl-2,5-dimethylthiophen-3-yl)-2-methyl-5-phenylthiophen-3-yl]-diphenylphosphane; iodoruthenium(1+); 1-methyl-4-propan-2-ylbenzene Traditional Name: [4-(4-diphenylphosphino-2,5-dimethyl-3-thienyl)-2-methyl-5-phenyl-3-thienyl]-diphenyl-phosphine; iodoruthenium(1+); p-cymene Formula: C51H48IP2RuS2+ MolecularWeight: 1014.978812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.CC1=C(C(=C(S1)C)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(SC(=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C)C7=CC=CC=C7.[Ru+]I

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.CC1=C(C(=C(S1)C)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(SC(=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C)C7=CC=CC=C7.[Ru+]I

InChI

InChI=1S/C41H34P2S2.C10H14.HI.Ru/c1-29-37(39(30(2)44-29)42(33-21-11-5-12-22-33)34-23-13-6-14-24-34)38-40(31(3)45-41(38)32-19-9-4-10-20-32)43(35-25-15-7-16-26-35)36-27-17-8-18-28-36;1-8(2)10-6-4-9(3)5-7-10;;/h4-28H,1-3H3;4-8H,1-3H3;1H;/q;;;+2/p-1