2-oxidanylidene-2-(phenylsulfonyloxy)ethanoic acid; 6-propan-2-ylpyrrolo[1,2-b]pyridazine

Systemtic Name: 2-oxidanylidene-2-(phenylsulfonyloxy)ethanoic acid; 6-propan-2-ylpyrrolo[1,2-b]pyridazine Openeye Name: 2-(benzenesulfonyloxy)-2-oxo-acetic acid; 6-isopropylpyrrolo[1,2-b]pyridazine CAS Name: 2-(benzenesulfonyloxy)-2-oxoacetic acid; 6-propan-2-ylpyrrolo[1,2-b]pyridazine IUPAC Name: 2-(benzenesulfonyloxy)-2-oxoacetic acid; 6-propan-2-ylpyrrolo[1,2-b]pyridazine Traditional Name: 2-besyloxy-2-keto-acetic acid; 6-isopropylpyrrolo[1,2-b]pyridazine Formula: C18H18N2O6S MolecularWeight: 390.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN2C(=C1)C=CC=N2.C1=CC=C(C=C1)S(=O)(=O)OC(=O)C(=O)O

Isomeric SMILES

CC(C)C1=CN2C(=C1)C=CC=N2.C1=CC=C(C=C1)S(=O)(=O)OC(=O)C(=O)O

InChI

InChI=1S/C10H12N2.C8H6O6S/c1-8(2)9-6-10-4-3-5-11-12(10)7-9;9-7(10)8(11)14-15(12,13)6-4-2-1-3-5-6/h3-8H,1-2H3;1-5H,(H,9,10)