(E)-4-cyclopentyl-3-methoxycarbonyl-2-propan-2-ylidene-pent-3-enoic acid; iron; methoxycyclopentane

Systemtic Name: (E)-4-cyclopentyl-3-methoxycarbonyl-2-propan-2-ylidene-pent-3-enoic acid; iron; methoxycyclopentane Openeye Name: (E)-4-cyclopentyl-2-isopropylidene-3-methoxycarbonyl-pent-3-enoic acid; iron; methoxycyclopentane CAS Name: (E)-4-cyclopentyl-3-methoxycarbonyl-2-propan-2-ylidene-3-pentenoic acid; iron; methoxycyclopentane IUPAC Name: (E)-4-cyclopentyl-3-methoxycarbonyl-2-propan-2-ylidenepent-3-enoic acid; iron; methoxycyclopentane Traditional Name: (E)-3-carbomethoxy-4-cyclopentyl-2-isopropylidene-pent-3-enoic acid; iron; methoxycyclopentane Formula: C21H24FeO5 MolecularWeight: 412.25726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=C(C)[C]1[CH][CH][CH][CH]1)C(=O)OC)C(=O)O)C.CO[C]1[CH][CH][CH][CH]1.[Fe]

Isomeric SMILES

CC(=C(/C(=C(/C)\[C]1[CH][CH][CH][CH]1)/C(=O)OC)C(=O)O)C.CO[C]1[CH][CH][CH][CH]1.[Fe]

InChI

InChI=1S/C15H17O4.C6H7O.Fe/c1-9(2)12(14(16)17)13(15(18)19-4)10(3)11-7-5-6-8-11;1-7-6-4-2-3-5-6;/h5-8H,1-4H3,(H,16,17);2-5H,1H3;