sodium (E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methanolate Formula: C12H11N2NaO2 MolecularWeight: 238.21771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=N2)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(=N2)C.[Na+]

InChI

InChI=1S/C12H12N2O2.Na/c1-8-3-5-10(6-4-8)14-12(16)11(7-15)9(2)13-14;/h3-7,15H,1-2H3;/q;+1/p-1/b11-7+;