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

Systemtic Name: 2-ethoxy-5-(3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 2-ethoxy-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 2-ethoxy-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 2-ethoxy-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 2-ethoxy-5-(3-heptadecyl-5-keto-2-pyrazolin-1-yl)besylic acid Formula: C28H46N2O5S MolecularWeight: 522.74024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N2O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22-28(31)30(29-24)25-20-21-26(35-4-2)27(23-25)36(32,33)34/h20-21,23H,3-19,22H2,1-2H3,(H,32,33,34)