cyclopentane; 2-cyclopentyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid; iron(2+)

Systemtic Name: cyclopentane; 2-cyclopentyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid; iron(2+) Openeye Name: ferrous; cyclopentane; 2-cyclopentyl-5-(4-sulfophenyl)azo-benzenesulfonic acid CAS Name: cyclopentane; 2-cyclopentyl-5-(4-sulfophenyl)azobenzenesulfonic acid; iron(2+) IUPAC Name: cyclopentane; 2-cyclopentyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid; iron(2+) Traditional Name: ferrous; cyclopentane; 2-cyclopentyl-5-(4-sulfophenyl)azo-besylic acid Formula: C22H18FeN2O6S2+2 MolecularWeight: 526.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)[C]3[CH][CH][CH][CH]3)S(=O)(=O)O)S(=O)(=O)O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)[C]3[CH][CH][CH][CH]3)S(=O)(=O)O)S(=O)(=O)O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C17H13N2O6S2.C5H5.Fe/c20-26(21,22)15-8-5-13(6-9-15)18-19-14-7-10-16(12-3-1-2-4-12)17(11-14)27(23,24)25;1-2-4-5-3-1;/h1-11H,(H,20,21,22)(H,23,24,25);1-5H;/q;;+2