5-[4-methyl-3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[4-methyl-3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[4-methyl-3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[4-methyl-5-oxo-3-(1-oxooctadecylamino)-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[4-methyl-3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-(5-keto-4-methyl-3-stearamido-2-pyrazolin-1-yl)-2-phenoxy-besylic acid Formula: C34H49N3O6S MolecularWeight: 627.83436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1C)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1C)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C34H49N3O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-32(38)35-33-27(2)34(39)37(36-33)28-24-25-30(31(26-28)44(40,41)42)43-29-21-18-17-19-22-29/h17-19,21-22,24-27H,3-16,20,23H2,1-2H3,(H,35,36,38)(H,40,41,42)