cyclopentane; iron(2+); [4-(4-tetradecoxyphenyl)phenyl] 4-cyclopentylbenzoate

Systemtic Name: cyclopentane; iron(2+); [4-(4-tetradecoxyphenyl)phenyl] 4-cyclopentylbenzoate Openeye Name: ferrous; cyclopentane; [4-(4-tetradecoxyphenyl)phenyl] 4-cyclopentylbenzoate CAS Name: cyclopentane; 4-cyclopentylbenzoic acid [4-(4-tetradecoxyphenyl)phenyl] ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); [4-(4-tetradecoxyphenyl)phenyl] 4-cyclopentylbenzoate Traditional Name: ferrous; cyclopentane; 4-cyclopentylbenzoic acid [4-(4-myristyloxyphenyl)phenyl] ester Formula: C43H50FeO3+2 MolecularWeight: 670.7003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C38H45O3.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-15-30-40-36-26-22-33(23-27-36)34-24-28-37(29-25-34)41-38(39)35-20-18-32(19-21-35)31-16-13-14-17-31;1-2-4-5-3-1;/h13-14,16-29H,2-12,15,30H2,1H3;1-5H;/q;;+2