magnesium; [2,6-di(propan-2-yl)phenyl]-[2-[[2,6-di(propan-2-yl)phenyl]azaniumyl]acenaphthylen-1-yl]azanide; ethynylbenzene; oxolane

Systemtic Name: magnesium; [2,6-di(propan-2-yl)phenyl]-[2-[[2,6-di(propan-2-yl)phenyl]azaniumyl]acenaphthylen-1-yl]azanide; ethynylbenzene; oxolane Openeye Name: magnesium; (2,6-diisopropylphenyl)-[2-[(2,6-diisopropylphenyl)ammonio]acenaphthylen-1-yl]azanide; ethynylbenzene; tetrahydrofuran CAS Name: magnesium; [2,6-di(propan-2-yl)phenyl]-[2-[[2,6-di(propan-2-yl)phenyl]ammonio]-1-acenaphthylenyl]azanide; ethynylbenzene; oxolane IUPAC Name: magnesium; [2,6-di(propan-2-yl)phenyl]-[2-[[2,6-di(propan-2-yl)phenyl]azaniumyl]acenaphthylen-1-yl]azanide; ethynylbenzene; oxolane Traditional Name: magnesium; (2,6-diisopropylphenyl)-[2-[(2,6-diisopropylphenyl)ammonio]acenaphthylen-1-yl]azanide; ethynylbenzene; tetrahydrofuran Formula: C52H63MgN2O2+ MolecularWeight: 772.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)[NH2+]C2=C(C3=CC=CC4=C3C2=CC=C4)[N-]C5=C(C=CC=C5C(C)C)C(C)C.[C-]#CC1=CC=CC=C1.C1CCOC1.C1CCOC1.[Mg+2]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)[NH2+]C2=C(C3=CC=CC4=C3C2=CC=C4)[N-]C5=C(C=CC=C5C(C)C)C(C)C.[C-]#CC1=CC=CC=C1.C1CCOC1.C1CCOC1.[Mg+2]

InChI

InChI=1S/C36H41N2.C8H5.2C4H8O.Mg/c1-21(2)26-15-11-16-27(22(3)4)33(26)37-35-30-19-9-13-25-14-10-20-31(32(25)30)36(35)38-34-28(23(5)6)17-12-18-29(34)24(7)8;1-2-8-6-4-3-5-7-8;2*1-2-4-5-3-1;/h9-24,37H,1-8H3;3-7H;2*1-4H2;/q2*-1;;;+2/p+1