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

Systemtic Name: sodium (E)-[3-(dioctylamino)-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-(dioctylamino)-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-(dioctylamino)-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-(dioctylamino)-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[3-(dioctylamino)-5-keto-1-(p-tolyl)-2-pyrazolin-4-ylidene]methanolate Formula: C27H42N3NaO2 MolecularWeight: 463.63105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=NN(C(=O)C1=C[O-])C2=CC=C(C=C2)C.[Na+]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C\1=NN(C(=O)/C1=C/[O-])C2=CC=C(C=C2)C.[Na+]

InChI

InChI=1S/C27H43N3O2.Na/c1-4-6-8-10-12-14-20-29(21-15-13-11-9-7-5-2)26-25(22-31)27(32)30(28-26)24-18-16-23(3)17-19-24;/h16-19,22,31H,4-15,20-21H2,1-3H3;/q;+1/p-1/b25-22+;