methanidylbenzene; (4-methylphenyl)-(2-phenyl-1-pyrrol-1-id-2-yl-ethyl)azanide; zirconium(4+)

Systemtic Name: methanidylbenzene; (4-methylphenyl)-(2-phenyl-1-pyrrol-1-id-2-yl-ethyl)azanide; zirconium(4+) Openeye Name: methanidylbenzene; (2-phenyl-1-pyrrol-1-id-2-yl-ethyl)-(p-tolyl)azanide; zirconium(4+) CAS Name: methanidylbenzene; (4-methylphenyl)-[2-phenyl-1-(2-pyrrol-1-idyl)ethyl]azanide; zirconium(4+) IUPAC Name: methanidylbenzene; (4-methylphenyl)-(2-phenyl-1-pyrrol-1-id-2-ylethyl)azanide; zirconium(4+) Traditional Name: methanidylbenzene; (2-phenyl-1-pyrrol-1-id-2-yl-ethyl)-(p-tolyl)azanide; zirconium(4+) Formula: C33H32N2Zr MolecularWeight: 547.84458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N-]C(CC2=CC=CC=C2)C3=CC=C[N-]3.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]

Isomeric SMILES

CC1=CC=C(C=C1)[N-]C(CC2=CC=CC=C2)C3=CC=C[N-]3.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]

InChI

InChI=1S/C19H18N2.2C7H7.Zr/c1-15-9-11-17(12-10-15)21-19(18-8-5-13-20-18)14-16-6-3-2-4-7-16;2*1-7-5-3-2-4-6-7;/h2-13,19H,14H2,1H3;2*2-6H,1H2;/q-2;2*-1;+4