2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; 4-nitrophenol; zirconium(2+)

Systemtic Name: 2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; 4-nitrophenol; zirconium(2+) Openeye Name: 2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; 4-nitrophenol; zirconium(2+) CAS Name: 2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; 4-nitrophenol; zirconium(2+) IUPAC Name: 2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; 4-nitrophenol; zirconium(2+) Traditional Name: 2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; 4-nitrophenol; zirconium(2+) Formula: C32H36N2O6Zr MolecularWeight: 635.86204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C=CC=CC2[CH-]1.CC1CC2C=CC=CC2[CH-]1.C1=CC(=CC=C1[N+](=O)[O-])O.C1=CC(=CC=C1[N+](=O)[O-])O.[Zr+2]

Isomeric SMILES

CC1CC2C=CC=CC2[CH-]1.CC1CC2C=CC=CC2[CH-]1.C1=CC(=CC=C1[N+](=O)[O-])O.C1=CC(=CC=C1[N+](=O)[O-])O.[Zr+2]

InChI

InChI=1S/2C10H13.2C6H5NO3.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;2*8-6-3-1-5(2-4-6)7(9)10;/h2*2-6,8-10H,7H2,1H3;2*1-4,8H;/q2*-1;;;+2