cyclopentanolate; cyclopentyl(diphenyl)phosphane; iron(2+); propan-2-olate; titanium(4+)

Systemtic Name: cyclopentanolate; cyclopentyl(diphenyl)phosphane; iron(2+); propan-2-olate; titanium(4+) Openeye Name: diferrous; cyclopentanolate; cyclopentyl(diphenyl)phosphane; propan-2-olate; titanium(4+) CAS Name: cyclopentanolate; cyclopentyl(diphenyl)phosphine; iron(2+); 2-propanolate; titanium(4+) IUPAC Name: cyclopentanolate; cyclopentyl(diphenyl)phosphane; iron(2+); propan-2-olate; titanium(4+) Traditional Name: diferrous; cyclopentanolate; cyclopentyl(diphenyl)phosphine; propan-2-olate; titanium(4+) Formula: C50H50Fe2O4P2Ti+4 MolecularWeight: 936.434122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[O-].CC(C)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][C]([CH]1)[O-].[CH]1[CH][CH][C]([CH]1)[O-].[Ti+4].[Fe+2].[Fe+2]

Isomeric SMILES

CC(C)[O-].CC(C)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][C]([CH]1)[O-].[CH]1[CH][CH][C]([CH]1)[O-].[Ti+4].[Fe+2].[Fe+2]

InChI

InChI=1S/2C17H14P.2C5H5O.2C3H7O.2Fe.Ti/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2*6-5-3-1-2-4-5;2*1-3(2)4;;;/h2*1-14H;2*1-4,6H;2*3H,1-2H3;;;/q;;;;2*-1;2*+2;+4/p-2