1-(3-cyclopenta-1,3-dien-1-yl-3-oxidanyl-3-phenyl-prop-1-ynyl)cyclopentan-1-ol; iron(2+)

Systemtic Name: 1-(3-cyclopenta-1,3-dien-1-yl-3-oxidanyl-3-phenyl-prop-1-ynyl)cyclopentan-1-ol; iron(2+) Openeye Name: ferrous 1-(3-cyclopenta-1,3-dien-1-yl-3-hydroxy-3-phenyl-prop-1-ynyl)cyclopentanol CAS Name: 1-[3-(1-cyclopenta-1,3-dienyl)-3-hydroxy-3-phenylprop-1-ynyl]-1-cyclopentanol; iron(2+) IUPAC Name: 1-(3-cyclopenta-1,3-dien-1-yl-3-hydroxy-3-phenylprop-1-ynyl)cyclopentan-1-ol; iron(2+) Traditional Name: ferrous 1-(3-cyclopenta-1,3-dien-1-yl-3-hydroxy-3-phenyl-prop-1-ynyl)cyclopentanol Formula: C38H38FeO4 MolecularWeight: 614.55092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#CC(C2=CC=C[CH-]2)(C3=CC=CC=C3)O)O.C1CCC(C1)(C#CC(C2=CC=C[CH-]2)(C3=CC=CC=C3)O)O.[Fe+2]

Isomeric SMILES

C1CCC(C1)(C#CC(C2=CC=C[CH-]2)(C3=CC=CC=C3)O)O.C1CCC(C1)(C#CC(C2=CC=C[CH-]2)(C3=CC=CC=C3)O)O.[Fe+2]

InChI

InChI=1S/2C19H19O2.Fe/c2*20-18(12-6-7-13-18)14-15-19(21,17-10-4-5-11-17)16-8-2-1-3-9-16;/h2*1-5,8-11,20-21H,6-7,12-13H2;/q2*-1;+2