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Octaethylverdohemochrome
[CAS# 108104-02-5]

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CAS#: 108104-02-5
Product: Octaethylverdohemochrome
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Identification
Name Octaethylverdohemochrome
Synonyms (2,3,7,8,12,13,17,18-Octaethyl-21H-5-Oxaporphinatol-N21,N22,N23,N24)Bis(Pyridine)Iron(1+); Iron(1+), (2,3,7,8,12,13,17,18-Octaethyl-21H-5-Oxaporphinatol-N21,N22,N23,N24)Bis(Pyridine)-; Octaethylverdohaemochrome
Molecular Structure CAS#: 108104-02-5, Octaethylverdohemochrome
Molecular Formula C45H53FeN6O
Molecular Weight 749.80
CAS Registry Number 108104-02-5
SMILES O3C5=NC(=CC1=C(C(=C([N-]1)C=C2N=C(C(=C2CC)CC)C=C4N=C3C(=C4CC)CC)CC)CC)C(=C5CC)CC.C6=NC=CC=C6.C7=NC=CC=C7.[Fe++]
InChI 1S/C35H43N4O.2C5H5N.Fe/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)34(38-32)40-35-27(16-8)25(14-6)33(39-35)19-31-23(12-4)21(10-2)29(37-31)17-28(20)36-30;2*1-2-4-6-5-3-1;/h17-19H,9-16H2,1-8H3;2*1-5H;/q-1;;;+2
InChIKey LQYBKMOQYKFLMN-UHFFFAOYSA-N
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