2,4-bis(cyclohexylmethyl)penta-1,4-dien-3-yl 2-diphenylphosphanylcyclopentane-1-carboxylate; cyclopentane; iron(2+)

Systemtic Name: 2,4-bis(cyclohexylmethyl)penta-1,4-dien-3-yl 2-diphenylphosphanylcyclopentane-1-carboxylate; cyclopentane; iron(2+) Openeye Name: ferrous; [2-(cyclohexylmethyl)-1-[1-(cyclohexylmethyl)vinyl]allyl] 2-diphenylphosphanylcyclopentanecarboxylate; cyclopentane CAS Name: cyclopentane; 2-diphenylphosphino-1-cyclopentanecarboxylic acid 2,4-bis(cyclohexylmethyl)penta-1,4-dien-3-yl ester; iron(2+) IUPAC Name: 2,4-bis(cyclohexylmethyl)penta-1,4-dien-3-yl 2-diphenylphosphanylcyclopentane-1-carboxylate; cyclopentane; iron(2+) Traditional Name: ferrous; cyclopentane; 2-diphenylphosphinocyclopentanecarboxylic acid [2-(cyclohexylmethyl)-1-[1-(cyclohexylmethyl)vinyl]allyl] ester Formula: C42H49FeO2P+2 MolecularWeight: 672.656021

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC1CCCCC1)C(C(=C)CC2CCCCC2)OC(=O)[C]3[CH][CH][CH][C]3P(C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C=C(CC1CCCCC1)C(C(=C)CC2CCCCC2)OC(=O)[C]3[CH][CH][CH][C]3P(C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C37H44O2P.C5H5.Fe/c1-28(26-30-16-7-3-8-17-30)36(29(2)27-31-18-9-4-10-19-31)39-37(38)34-24-15-25-35(34)40(32-20-11-5-12-21-32)33-22-13-6-14-23-33;1-2-4-5-3-1;/h5-6,11-15,20-25,30-31,36H,1-4,7-10,16-19,26-27H2;1-5H;/q;;+2