cyclopentane; iron(2+); 2-[2-(2-methoxyethoxy)ethoxy]ethyl (9Z)-9-[[5-[(E)-2-cyclopentylethenyl]thiophen-2-yl]methylidene]-2,5,7-trinitro-fluorene-4-carboxylate

Systemtic Name: cyclopentane; iron(2+); 2-[2-(2-methoxyethoxy)ethoxy]ethyl (9Z)-9-[[5-[(E)-2-cyclopentylethenyl]thiophen-2-yl]methylidene]-2,5,7-trinitro-fluorene-4-carboxylate Openeye Name: ferrous; cyclopentane; 2-[2-(2-methoxyethoxy)ethoxy]ethyl (9Z)-9-[[5-[(E)-2-cyclopentylvinyl]-2-thienyl]methylene]-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: cyclopentane; (9Z)-9-[[5-[(E)-2-cyclopentylethenyl]-2-thiophenyl]methylidene]-2,5,7-trinitro-4-fluorenecarboxylic acid 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); 2-[2-(2-methoxyethoxy)ethoxy]ethyl (9Z)-9-[[5-[(E)-2-cyclopentylethenyl]thiophen-2-yl]methylidene]-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: ferrous; cyclopentane; (9Z)-9-[[5-[(E)-2-cyclopentylvinyl]-2-thienyl]methylene]-2,5,7-trinitro-fluorene-4-carboxylic acid 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester Formula: C38H33FeN3O11S+2 MolecularWeight: 795.59212

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=CC3=CC=C(S3)C=C[C]4[CH][CH][CH][CH]4)C5=CC(=CC(=C52)[N+](=O)[O-])[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COCCOCCOCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])/C(=C/C3=CC=C(S3)/C=C/[C]4[CH][CH][CH][CH]4)/C5=CC(=CC(=C52)[N+](=O)[O-])[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C33H28N3O11S.C5H5.Fe/c1-44-10-11-45-12-13-46-14-15-47-33(37)29-18-22(34(38)39)16-27-26(20-25-9-8-24(48-25)7-6-21-4-2-3-5-21)28-17-23(35(40)41)19-30(36(42)43)32(28)31(27)29;1-2-4-5-3-1;/h2-9,16-20H,10-15H2,1H3;1-5H;/q;;+2