potassium 5-(5-heptadecyl-3-oxidanylidene-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonic acid

Systemtic Name: potassium 5-(5-heptadecyl-3-oxidanylidene-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: potassium 5-(5-heptadecyl-3-oxo-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonic acid CAS Name: potassium 5-(5-heptadecyl-3-oxo-1H-pyrazol-2-yl)-2-phenoxybenzenesulfonic acid IUPAC Name: potassium 5-(5-heptadecyl-3-oxo-1H-pyrazol-2-yl)-2-phenoxybenzenesulfonic acid Traditional Name: potassium 5-(3-heptadecyl-5-keto-3-pyrazolin-1-yl)-2-phenoxy-besylic acid Formula: C32H46KN2O5S+ MolecularWeight: 609.88134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC(=O)N(N1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O.[K+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC(=O)N(N1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O.[K+]

InChI

InChI=1S/C32H46N2O5S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27-25-32(35)34(33-27)28-23-24-30(31(26-28)40(36,37)38)39-29-21-18-16-19-22-29;/h16,18-19,21-26,33H,2-15,17,20H2,1H3,(H,36,37,38);/q;+1