4-(3-heptyl-4-nitroso-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3-heptyl-4-nitroso-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(3-heptyl-4-nitroso-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(3-heptyl-4-nitroso-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(3-heptyl-4-nitroso-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(3-heptyl-5-keto-4-nitroso-2-pyrazolin-1-yl)besylic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN(C(=O)C1N=O)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC1=NN(C(=O)C1N=O)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H21N3O5S/c1-2-3-4-5-6-7-14-15(18-21)16(20)19(17-14)12-8-10-13(11-9-12)25(22,23)24/h8-11,15H,2-7H2,1H3,(H,22,23,24)