cyclopentane; cyclopentylmethanethiolate; iron(2+); titanium(4+)

Systemtic Name: cyclopentane; cyclopentylmethanethiolate; iron(2+); titanium(4+) Openeye Name: diferrous; cyclopentane; cyclopentylmethanethiolate; titanium(4+) CAS Name: cyclopentane; cyclopentylmethanethiolate; iron(2+); titanium(4+) IUPAC Name: cyclopentane; cyclopentylmethanethiolate; iron(2+); titanium(4+) Traditional Name: diferrous; cyclopentane; cyclopentylmethanethiolate; titanium(4+) Formula: C32H32Fe2S2Ti+6 MolecularWeight: 640.28348

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Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C[S-].[CH]1[CH][CH][C]([CH]1)C[S-].[Ti+4].[Fe+2].[Fe+2]

Isomeric SMILES

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C[S-].[CH]1[CH][CH][C]([CH]1)C[S-].[Ti+4].[Fe+2].[Fe+2]

InChI

InChI=1S/2C6H7S.4C5H5.2Fe.Ti/c2*7-5-6-3-1-2-4-6;4*1-2-4-5-3-1;;;/h2*1-4,7H,5H2;4*1-5H;;;/q;;;;;;2*+2;+4/p-2