4-[4-(2-hexadecoxyphenyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(2-hexadecoxyphenyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-(2-hexadecoxyphenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-(2-hexadecoxyphenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[4-(2-hexadecoxyphenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(2-cetyloxyphenyl)-5-keto-2-pyrazolin-1-yl]besylic acid Formula: C31H44N2O5S MolecularWeight: 556.75646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C2C=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C2C=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C31H44N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-38-30-19-16-15-18-28(30)29-25-32-33(31(29)34)26-20-22-27(23-21-26)39(35,36)37/h15-16,18-23,25,29H,2-14,17,24H2,1H3,(H,35,36,37)