Etioporphyrin i nickel

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Catalog Number
ACM14055197
Product Name
Etioporphyrin i nickel
Structure
Structure
CAS
14055-19-7
Category
Organic & Printed Electronics
Synonyms
ETIOPORPHYRIN I NICKEL;Etioporphyrin Nickel;Etioporphyrin Ⅰ nickel
IUPAC Name
nickel(2+);2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diide
Molecular Weight
535.3g/mol
Molecular Formula
C32H36N4Ni
Canonical SMILES
CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CC)C(=C3CC)C)C.[Ni+2]
InChI
InChI=1S/C32H36N4.Ni/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;/h13-16H,9-12H2,1-8H3;/q-2;+2
InChI Key
SPKLBIKKHWTZSI-UHFFFAOYSA-N
Complexity
1190
Covalently-Bonded Unit Count
2
Exact Mass
534.229339g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
37
Monoisotopic Mass
534.229339g/mol
Rotatable Bond Count
4
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