cyclopenta-1,3-diene; ethanenitrile; iron(3+); titanium(4+); pentachloride

Systemtic Name: cyclopenta-1,3-diene; ethanenitrile; iron(3+); titanium(4+); pentachloride Openeye Name: ferric; acetonitrile; cyclopenta-1,3-diene; titanium(4+); pentachloride CAS Name: acetonitrile; cyclopenta-1,3-diene; iron(3+); titanium(4+); pentachloride IUPAC Name: acetonitrile; cyclopenta-1,3-diene; iron(3+); titanium(4+); pentachloride Traditional Name: ferric; acetonitrile; cyclopenta-1,3-diene; titanium(4+); pentachloride Formula: C12H13Cl5FeNTi MolecularWeight: 452.21532

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Fe+3]

Isomeric SMILES

CC#N.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Fe+3]

InChI

InChI=1S/2C5H5.C2H3N.5ClH.Fe.Ti/c2*1-2-4-5-3-1;1-2-3;;;;;;;/h2*1-5H;1H3;5*1H;;/q2*-1;;;;;;;+3;+4/p-5