cyclopentane; 4-cyclopentyl-3-methoxy-benzenecarbothioic S-acid; iron(2+)

Systemtic Name: cyclopentane; 4-cyclopentyl-3-methoxy-benzenecarbothioic S-acid; iron(2+) Openeye Name: ferrous; cyclopentane; 4-cyclopentyl-3-methoxy-benzenecarbothioic S-acid CAS Name: cyclopentane; 4-cyclopentyl-3-methoxybenzenecarbothioic S-acid; iron(2+) IUPAC Name: cyclopentane; 4-cyclopentyl-3-methoxybenzenecarbothioic S-acid; iron(2+) Traditional Name: ferrous; cyclopentane; 4-cyclopentyl-3-methoxy-thiobenzoic acid Formula: C18H16FeO2S+2 MolecularWeight: 352.22844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)S)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)S)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C13H11O2S.C5H5.Fe/c1-15-12-8-10(13(14)16)6-7-11(12)9-4-2-3-5-9;1-2-4-5-3-1;/h2-8H,1H3,(H,14,16);1-5H;/q;;+2