2-(4-ethoxyphenoxy)-5-(3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 2-(4-ethoxyphenoxy)-5-(3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 2-(4-ethoxyphenoxy)-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 2-(4-ethoxyphenoxy)-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 2-(4-ethoxyphenoxy)-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 2-(4-ethoxyphenoxy)-5-(3-heptadecyl-5-keto-2-pyrazolin-1-yl)besylic acid Formula: C34H50N2O6S MolecularWeight: 614.8356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OCC)S(=O)(=O)O

InChI

InChI=1S/C34H50N2O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-26-34(37)36(35-28)29-20-25-32(33(27-29)43(38,39)40)42-31-23-21-30(22-24-31)41-4-2/h20-25,27H,3-19,26H2,1-2H3,(H,38,39,40)