Abelsonite (C31H32N4Ni)
CAS Registry Number®
69353-53-3
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CAS Name
Abelsonite (C31H32N4Ni)Molecular Formula
C31H32N4NiCite this Page
Abelsonite (C31H32N4Ni). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=69353-53-3 (retrieved ) (CAS RN: 69353-53-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H32N4.Ni/c1-7-19-12-20-13-25-16(4)21(8-2)28(33-25)14-26-17(5)22(9-3)29(34-26)15-27-18(6)23-10-11-24(30(19)32-20)31(23)35-27;/h12-15H,7-11H2,1-6H3;/q-2;+2/b20-13-,25-13?,26-14-,27-15-,28-14?,29-15?,30-24?;
InChIKey
InChIKey=GYPMHNJFVGOCQU-CJEVFVCJSA-N
SMILES
CC1=C2[N-]3[Ni+2]45[N]=6C(=C7C3=C1CC7)C(CC)=CC6C=C8[N-]4C(=CC9=[N]5C(=C2)C(CC)=C9C)C(CC)=C8C
Canonical SMILES
C=1C=2C=C(C3=C4C5=C(C(=C6C=C7C(=C(C=8C=C9C(=C(C1[N-]9[Ni+2]([N]87)([N]23)[N-]65)C)CC)C)CC)C)CC4)CC
Other Names for this Substance
- Abelsonite (C31H32N4Ni)
- Abelsonite
