2-methyl-3-oxidanyl-pyran-4-one; 3-oxidanylpyran-4-one; ruthenium; triphenylphosphane

Systemtic Name: 2-methyl-3-oxidanyl-pyran-4-one; 3-oxidanylpyran-4-one; ruthenium; triphenylphosphane Openeye Name: 3-hydroxy-2-methyl-pyran-4-one; 3-hydroxypyran-4-one; ruthenium; triphenylphosphane CAS Name: 3-hydroxy-2-methyl-4-pyranone; 3-hydroxy-4-pyranone; ruthenium; triphenylphosphine IUPAC Name: 3-hydroxy-2-methylpyran-4-one; 3-hydroxypyran-4-one; ruthenium; triphenylphosphane Traditional Name: 3-hydroxy-2-methyl-pyran-4-one; 3-hydroxypyran-4-one; ruthenium; triphenylphosphine Formula: C47H40O6P2Ru MolecularWeight: 863.834422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=COC=C(C1=O)O.[Ru]

Isomeric SMILES

CC1=C(C(=O)C=CO1)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=COC=C(C1=O)O.[Ru]

InChI

InChI=1S/2C18H15P.C6H6O3.C5H4O3.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-6(8)5(7)2-3-9-4;6-4-1-2-8-3-5(4)7;/h2*1-15H;2-3,8H,1H3;1-3,7H;