lithium; 1-butyl-4-phenyl-benzene; pyrazolidin-2-ide-3,5-dione

Systemtic Name: lithium; 1-butyl-4-phenyl-benzene; pyrazolidin-2-ide-3,5-dione Openeye Name: lithium; 1-butyl-4-phenyl-benzene; pyrazolidin-2-ide-3,5-dione CAS Name: lithium; 1-butyl-4-phenylbenzene; pyrazolidin-2-ide-3,5-dione IUPAC Name: lithium; 1-butyl-4-phenylbenzene; pyrazolidin-2-ide-3,5-dione Traditional Name: lithium; 1-butyl-4-phenyl-benzene; pyrazolidin-2-ide-3,5-quinone Formula: C19H21LiN2O2 MolecularWeight: 316.32324

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCC1=CC=C(C=C1)C2=CC=CC=C2.C1C(=O)N[N-]C1=O

Isomeric SMILES

[Li+].CCCCC1=CC=C(C=C1)C2=CC=CC=C2.C1C(=O)N[N-]C1=O

InChI

InChI=1S/C16H18.C3H4N2O2.Li/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;6-2-1-3(7)5-4-2;/h4-6,8-13H,2-3,7H2,1H3;1H2,(H2,4,5,6,7);/q;;+1/p-1