cyclopentane; ethyl benzoate; ethynylcyclopentane; iron(2+); platinum(2+); triphenylphosphane

Systemtic Name: cyclopentane; ethyl benzoate; ethynylcyclopentane; iron(2+); platinum(2+); triphenylphosphane Openeye Name: ferrous; cyclopentane; ethyl benzoate; ethynylcyclopentane; platinum(2+); triphenylphosphane CAS Name: benzoic acid ethyl ester; cyclopentane; ethynylcyclopentane; iron(2+); platinum(2+); triphenylphosphine IUPAC Name: cyclopentane; ethyl benzoate; ethynylcyclopentane; iron(2+); platinum(2+); triphenylphosphane Traditional Name: ferrous; benzoic acid ethyl ester; cyclopentane; ethynylcyclopentane; platinum(2+); triphenylphosphine Formula: C57H48FeO2P2Pt+2 MolecularWeight: 1077.860342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[C-]C=C1.[C-]#C[C]1[CH][CH][CH][CH]1.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.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Pt+2]

Isomeric SMILES

CCOC(=O)C1=CC=[C-]C=C1.[C-]#C[C]1[CH][CH][CH][CH]1.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.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Pt+2]

InChI

InChI=1S/2C18H15P.C9H9O2.C7H4.C5H5.Fe.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-11-9(10)8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;1-2-4-5-3-1;;/h2*1-15H;4-7H,2H2,1H3;3-6H;1-5H;;/q;;2*-1;;2*+2