(8aR,9aS)-4-phenyl-3,8a,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-ide; carbon monoxide; cyclopentane; ruthenium(2+); tri(propan-2-yl)phosphane

Systemtic Name: (8aR,9aS)-4-phenyl-3,8a,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-ide; carbon monoxide; cyclopentane; ruthenium(2+); tri(propan-2-yl)phosphane Openeye Name: (8aR,9aS)-4-phenyl-3,8a,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-ide; carbon monoxide; cyclopentane; ruthenium(2+); triisopropylphosphane CAS Name: (8aR,9aS)-4-phenyl-3,8a,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-ide; carbon monoxide; cyclopentane; ruthenium(2+); tri(propan-2-yl)phosphine IUPAC Name: (8aR,9aS)-4-phenyl-3,8a,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-ide; carbon monoxide; cyclopentane; ruthenium(2+); tri(propan-2-yl)phosphane Traditional Name: (8aR,9aS)-4-phenyl-3,8a,9,9a-tetrahydro-1H-benz[f]isobenzofuran-3-ide; carbon monoxide; cyclopentane; ruthenium(2+); triisopropylphosphine Formula: C33H41O2PRu+ MolecularWeight: 601.721201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)P(C(C)C)C(C)C.[C-]#[O+].C1C2CO[C-]=C2C(=C3C1C=CC=C3)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Ru+2]

Isomeric SMILES

CC(C)P(C(C)C)C(C)C.[C-]#[O+].C1[C@@H]2CO[C-]=C2C(=C3[C@H]1C=CC=C3)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Ru+2]

InChI

InChI=1S/C18H15O.C9H21P.C5H5.CO.Ru/c1-2-6-13(7-3-1)18-16-9-5-4-8-14(16)10-15-11-19-12-17(15)18;1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;1-2;/h1-9,14-15H,10-11H2;7-9H,1-6H3;1-5H;;/q-1;;;;+2/t14-,15+;;;;/m0..../s1