potassium (E)-[1-(3,5-didodecylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: potassium (E)-[1-(3,5-didodecylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: potassium (E)-[1-(3,5-didodecylphenyl)-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: potassium (E)-[1-(3,5-didodecylphenyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: potassium (E)-[1-(3,5-didodecylphenyl)-5-oxopyrazol-4-ylidene]methanolate Traditional Name: potassium (E)-[1-(3,5-dilaurylphenyl)-5-keto-2-pyrazolin-4-ylidene]methanolate Formula: C34H55KN2O2 MolecularWeight: 562.911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC(=C1)N2C(=O)C(=C[O-])C=N2)CCCCCCCCCCCC.[K+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC(=C1)N2C(=O)/C(=C/[O-])/C=N2)CCCCCCCCCCCC.[K+]

InChI

InChI=1S/C34H56N2O2.K/c1-3-5-7-9-11-13-15-17-19-21-23-30-25-31(24-22-20-18-16-14-12-10-8-6-4-2)27-33(26-30)36-34(38)32(29-37)28-35-36;/h25-29,37H,3-24H2,1-2H3;/q;+1/p-1/b32-29+;