cyclopentane; 1-cyclopentyl-2,3,4,5,6-pentakis-phenyl-benzene; iron(2+)

Systemtic Name: cyclopentane; 1-cyclopentyl-2,3,4,5,6-pentakis-phenyl-benzene; iron(2+) Openeye Name: ferrous; cyclopentane; 1-cyclopentyl-2,3,4,5,6-pentakis-phenyl-benzene CAS Name: cyclopentane; 1-cyclopentyl-2,3,4,5,6-pentakis-phenylbenzene; iron(2+) IUPAC Name: cyclopentane; 1-cyclopentyl-2,3,4,5,6-pentakis-phenylbenzene; iron(2+) Traditional Name: ferrous; cyclopentane; 1-cyclopentyl-2,3,4,5,6-pentakis-phenyl-benzene Formula: C46H34Fe+2 MolecularWeight: 642.60716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)[C]5[CH][CH][CH][CH]5)C6=CC=CC=C6)C7=CC=CC=C7.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)[C]5[CH][CH][CH][CH]5)C6=CC=CC=C6)C7=CC=CC=C7.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C41H29.C5H5.Fe/c1-6-18-30(19-7-1)36-37(31-20-8-2-9-21-31)39(33-24-12-4-13-25-33)41(35-28-16-17-29-35)40(34-26-14-5-15-27-34)38(36)32-22-10-3-11-23-32;1-2-4-5-3-1;/h1-29H;1-5H;/q;;+2