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

Systemtic Name: 2-chloranyl-5-(3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 2-chloro-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 2-chloro-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 2-chloro-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 2-chloro-5-(3-heptadecyl-5-keto-2-pyrazolin-1-yl)besylic acid Formula: C26H41ClN2O4S MolecularWeight: 513.13274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41ClN2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-26(30)29(28-22)23-18-19-24(27)25(21-23)34(31,32)33/h18-19,21H,2-17,20H2,1H3,(H,31,32,33)