iron(2+); methanal; 1-[2-(1-phenylbutyl)cyclopenta-1,3-dien-1-yl]butylbenzene

Systemtic Name: iron(2+); methanal; 1-[2-(1-phenylbutyl)cyclopenta-1,3-dien-1-yl]butylbenzene Openeye Name: ferrous; formaldehyde; 1-[2-(1-phenylbutyl)cyclopenta-1,3-dien-1-yl]butylbenzene CAS Name: formaldehyde; iron(2+); 1-[2-(1-phenylbutyl)-1-cyclopenta-1,3-dienyl]butylbenzene IUPAC Name: formaldehyde; iron(2+); 1-[2-(1-phenylbutyl)cyclopenta-1,3-dien-1-yl]butylbenzene Traditional Name: ferrous; formaldehyde; 1-[2-(1-phenylbutyl)cyclopenta-1,3-dien-1-yl]butylbenzene Formula: C28H35FeO3+ MolecularWeight: 475.4207

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=[C-]C1)C(CCC)C2=CC=CC=C2)C3=CC=CC=C3.C=O.C=O.C=O.[Fe+2]

Isomeric SMILES

CCCC(C1=C(C=[C-]C1)C(CCC)C2=CC=CC=C2)C3=CC=CC=C3.C=O.C=O.C=O.[Fe+2]

InChI

InChI=1S/C25H29.3CH2O.Fe/c1-3-12-22(20-14-7-5-8-15-20)24-18-11-19-25(24)23(13-4-2)21-16-9-6-10-17-21;3*1-2;/h5-10,14-18,22-23H,3-4,12-13,19H2,1-2H3;3*1H2;/q-1;;;;+2