cyclopenta-1,3-diene; S-(cyclopenta-2,4-dien-1-ylmethyl) ethanethioate; iron

Systemtic Name: cyclopenta-1,3-diene; S-(cyclopenta-2,4-dien-1-ylmethyl) ethanethioate; iron Openeye Name: cyclopenta-1,3-diene; S-(cyclopenta-2,4-dien-1-ylmethyl) ethanethioate; iron CAS Name: cyclopenta-1,3-diene; ethanethioic acid S-(1-cyclopenta-2,4-dienylmethyl) ester; iron IUPAC Name: cyclopenta-1,3-diene; S-(cyclopenta-2,4-dien-1-ylmethyl) ethanethioate; iron Traditional Name: cyclopenta-1,3-diene; ethanethioic acid S-(cyclopenta-2,4-dien-1-ylmethyl) ester; iron Formula: C13H14FeOS-2 MolecularWeight: 274.15966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CC(=O)SC[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C8H9OS.C5H5.Fe/c1-7(9)10-6-8-4-2-3-5-8;1-2-4-5-3-1;/h2-5H,6H2,1H3;1-5H;/q2*-1;