cyclopenta-1,3-diene; S-(11-cyclopenta-2,4-dien-1-ylundecyl) ethanethioate; iron

Systemtic Name: cyclopenta-1,3-diene; S-(11-cyclopenta-2,4-dien-1-ylundecyl) ethanethioate; iron Openeye Name: cyclopenta-1,3-diene; S-(11-cyclopenta-2,4-dien-1-ylundecyl) ethanethioate; iron CAS Name: cyclopenta-1,3-diene; ethanethioic acid S-[11-(1-cyclopenta-2,4-dienyl)undecyl] ester; iron IUPAC Name: cyclopenta-1,3-diene; S-(11-cyclopenta-2,4-dien-1-ylundecyl) ethanethioate; iron Traditional Name: cyclopenta-1,3-diene; ethanethioic acid S-(11-cyclopenta-2,4-dien-1-ylundecyl) ester; iron Formula: C23H34FeOS-2 MolecularWeight: 414.42546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29OS.C5H5.Fe/c1-17(19)20-16-12-8-6-4-2-3-5-7-9-13-18-14-10-11-15-18;1-2-4-5-3-1;/h10-11,14-15H,2-9,12-13,16H2,1H3;1-5H;/q2*-1;