potassium (E)-[1-(4-dodecoxyphenyl)-3-methyl-5-oxidanylidene-pyrazolidin-4-ylidene]methanolate

Systemtic Name: potassium (E)-[1-(4-dodecoxyphenyl)-3-methyl-5-oxidanylidene-pyrazolidin-4-ylidene]methanolate Openeye Name: potassium (E)-[1-(4-dodecoxyphenyl)-3-methyl-5-oxo-pyrazolidin-4-ylidene]methanolate CAS Name: potassium (E)-[1-(4-dodecoxyphenyl)-3-methyl-5-oxo-4-pyrazolidinylidene]methanolate IUPAC Name: potassium (E)-[1-(4-dodecoxyphenyl)-3-methyl-5-oxopyrazolidin-4-ylidene]methanolate Traditional Name: potassium (E)-[5-keto-1-(4-lauryloxyphenyl)-3-methyl-pyrazolidin-4-ylidene]methanolate Formula: C23H35KN2O3 MolecularWeight: 426.6339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(N2)C.[K+]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(N2)C.[K+]

InChI

InChI=1S/C23H36N2O3.K/c1-3-4-5-6-7-8-9-10-11-12-17-28-21-15-13-20(14-16-21)25-23(27)22(18-26)19(2)24-25;/h13-16,18-19,24,26H,3-12,17H2,1-2H3;/q;+1/p-1/b22-18+;