(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C29H34N2O5S MolecularWeight: 522.65566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OS(=O)(=O)CC45CCC(C4(C)C)CC5=O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OS(=O)(=O)CC45CCC(C4(C)C)CC5=O

InChI

InChI=1S/C29H34N2O5S/c1-4-5-16-24-26(33)30(22-12-8-6-9-13-22)31(23-14-10-7-11-15-23)27(24)36-37(34,35)20-29-18-17-21(19-25(29)32)28(29,2)3/h6-15,21H,4-5,16-20H2,1-3H3