cyclopenta-1,3-diene; 2-(cyclopenta-1,3-dien-1-ylmethylsulfanyl)ethanoic acid; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-(cyclopenta-1,3-dien-1-ylmethylsulfanyl)ethanoic acid; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 2-(cyclopenta-1,3-dien-1-ylmethylsulfanyl)acetic acid CAS Name: cyclopenta-1,3-diene; 2-(1-cyclopenta-1,3-dienylmethylthio)acetic acid; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 2-(cyclopenta-1,3-dien-1-ylmethylsulfanyl)acetic acid; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 2-(cyclopenta-1,3-dien-1-ylmethylthio)acetic acid Formula: C13H14FeO2S MolecularWeight: 290.15906

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1CSCC(=O)O.[Fe+2]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1CSCC(=O)O.[Fe+2]

InChI

InChI=1S/C8H9O2S.C5H5.Fe/c9-8(10)6-11-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H,5-6H2,(H,9,10);1-5H;/q2*-1;+2