4-diphenylphosphanyl-2,2-dimethyl-7,7-diphenyl-hepta-5,6-dien-3-one; indene; ruthenium(2+); triphenylphosphane

Systemtic Name: 4-diphenylphosphanyl-2,2-dimethyl-7,7-diphenyl-hepta-5,6-dien-3-one; indene; ruthenium(2+); triphenylphosphane Openeye Name: 4-diphenylphosphanyl-2,2-dimethyl-7,7-diphenyl-hepta-5,6-dien-3-one; indene; ruthenium(2+); triphenylphosphane CAS Name: 4-diphenylphosphino-2,2-dimethyl-7,7-diphenyl-3-hepta-5,6-dienone; indene; ruthenium(2+); triphenylphosphine IUPAC Name: 4-diphenylphosphanyl-2,2-dimethyl-7,7-diphenylhepta-5,6-dien-3-one; indene; ruthenium(2+); triphenylphosphane Traditional Name: 4-diphenylphosphino-2,2-dimethyl-7,7-diphenyl-hepta-5,6-dien-3-one; indene; ruthenium(2+); triphenylphosphine Formula: C60H52OP2Ru+ MolecularWeight: 952.071802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C([C-]=C=C(C1=CC=CC=C1)C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=C[C]2[CH][CH][CH][C]2C=C1.[Ru+2]

Isomeric SMILES

CC(C)(C)C(=O)C([C-]=C=C(C1=CC=CC=C1)C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=C[C]2[CH][CH][CH][C]2C=C1.[Ru+2]

InChI

InChI=1S/C33H30OP.C18H15P.C9H7.Ru/c1-33(2,3)32(34)31(35(28-20-12-6-13-21-28)29-22-14-7-15-23-29)25-24-30(26-16-8-4-9-17-26)27-18-10-5-11-19-27;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;/h4-23,31H,1-3H3;1-15H;1-7H;/q-1;;;+2