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

Systemtic Name: sodium (E)-[3-methyl-1-(4-nonylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-methyl-1-(4-nonylphenyl)-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-methyl-1-(4-nonylphenyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-methyl-1-(4-nonylphenyl)-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[5-keto-3-methyl-1-(4-nonylphenyl)-2-pyrazolin-4-ylidene]methanolate Formula: C20H27N2NaO2 MolecularWeight: 350.43035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=N2)C.[Na+]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(=N2)C.[Na+]

InChI

InChI=1S/C20H28N2O2.Na/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-20(24)19(15-23)16(2)21-22;/h11-15,23H,3-10H2,1-2H3;/q;+1/p-1/b19-15+;