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

Systemtic Name: 2-[2-(3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl)phenoxy]benzenesulfonic acid Openeye Name: 2-[2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)phenoxy]benzenesulfonic acid CAS Name: 2-[2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)phenoxy]benzenesulfonic acid IUPAC Name: 2-[2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)phenoxy]benzenesulfonic acid Traditional Name: 2-[2-(3-heptadecyl-5-keto-2-pyrazolin-1-yl)phenoxy]besylic acid Formula: C32H46N2O5S MolecularWeight: 570.78304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=CC=C2OC3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=CC=C2OC3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C32H46N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-26-32(35)34(33-27)28-22-17-18-23-29(28)39-30-24-19-20-25-31(30)40(36,37)38/h17-20,22-25H,2-16,21,26H2,1H3,(H,36,37,38)